70678714 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 16 16 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 6 7 8 8 9 10 10 11 12 13 13 14 15 15 16 17 18 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 34 35 36 37 38 38 39 40 41 42 43 43 44 45 46 47 48 49 49 50 51 52 53 54 55 56 57 58 59 60 61 61 62 63 64 65 65 65 66 66 66 67 67 67 68 68 68 69 69 69 70 70 70 71 71 71 72 72 72 73 73 73 74 74 74 75 75 75 76 76 76 77 77 77 78 78 78 79 79 80 80 80 81 81 81 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 91 91 91 92 92 92 93 93 93 94 94 94 95 95 95 96 96 97 97 97 98 98 98 99 99 99 100 100 100 101 101 101 102 102 102 103 103 103 104 104 104 105 105 105 106 106 106 107 107 107 108 108 108 109 109 109 110 110 111 111 111 112 112 112 113 113 113 114 114 114 115 115 115 116 116 116 117 117 117 118 118 119 119 119 120 120 120 121 121 121 122 122 123 123 123 124 124 124 125 125 125 126 126 126 127 127 127 128 128 128 129 129 129 130 130 130 132 132 133 133 134 136 136 137 137 137 138 138 138 139 139 139 140 140 140 141 141 141 143 143 143 144 145 145 146 146 146 148 148 148 149 149 149 150 150 150 151 151 153 154 154 155 155 155 157 157 157 158 158 159 159 159 161 161 161 162 162 162 163 163 163 164 164 164 166 166 166 168 168 168 169 169 169 171 171 171 172 172 172 173 173 173 174 174 174 176 176 176 177 177 177 178 178 178 179 179 179 181 181 182 182 182 183 183 184 184 185 185 185 187 187 188 188 189 190 191 191 191 192 192 192 193 194 194 194 196 197 197 197 198 198 198 199 199 199 200 200 200 201 201 201 203 203 203 204 204 204 205 205 205 206 206 206 208 208 208 209 209 209 210 210 210 210 211 211 212 212 213 213 213 213 214 214 215 215 215 216 216 216 219 219 219 220 220 220 221 221 221 222 222 222 223 223 223 225 225 225 226 226 226 227 227 227 228 228 228 229 229 229 231 231 231 233 233 233 234 234 234 235 235 235 236 236 236 237 237 237 238 238 238 239 239 239 240 240 240 242 242 242 244 244 244 245 245 245 248 248 248 251 251 251 252 252 252 253 253 253 254 254 254 255 255 255 256 256 256 257 257 258 258 258 259 259 259 260 260 260 263 263 263 265 265 265 266 266 266 267 267 268 268 268 269 269 270 271 271 271 272 272 275 275 275 276 276 276 277 277 278 278 278 279 280 280 283 283 283 285 285 285 286 286 286 287 287 287 288 288 288 289 289 290 290 290 291 291 291 293 293 293 294 294 294 295 295 295 297 297 297 298 298 298 301 301 301 302 302 303 303 303 304 304 304 305 305 305 307 307 307 308 308 308 310 310 310 311 311 311 312 312 312 313 313 313 314 314 314 316 316 316 318 319 319 319 320 320 320 322 322 322 325 325 325 326 326 326 327 328 328 328 331 257 275 277 295 131 134 135 142 144 147 375 147 151 381 152 153 156 387 156 158 396 160 165 167 404 167 170 175 180 186 195 202 207 217 218 224 230 232 241 243 250 567 246 249 250 262 573 261 262 264 270 274 592 273 274 279 281 282 289 640 292 296 299 300 306 309 315 317 321 323 324 330 674 330 332 333 126 129 131 125 132 134 135 137 349 136 144 354 142 148 363 145 153 370 152 155 376 154 385 386 160 163 394 165 166 399 170 173 405 175 178 420 180 182 424 186 191 433 190 196 193 196 439 195 199 441 202 205 452 207 209 464 212 224 477 214 217 478 218 219 486 211 247 487 221 241 505 227 230 506 234 243 521 231 249 524 246 254 542 232 543 544 242 261 547 247 555 556 247 564 258 270 563 264 268 566 267 577 578 272 279 583 269 284 584 273 278 585 282 283 593 280 296 601 287 299 610 281 611 612 284 617 618 292 298 619 293 306 628 284 631 297 309 635 300 308 636 294 315 637 302 329 649 312 317 650 316 321 658 313 323 659 318 331 327 331 668 324 670 671 329 672 673 329 675 332 676 677 333 678 679 127 131 334 128 135 335 130 336 337 133 338 339 133 340 341 132 342 343 344 345 346 347 136 138 348 139 142 350 140 351 352 141 143 353 147 355 356 146 357 358 359 360 361 145 149 362 364 365 366 151 152 367 150 368 369 156 371 372 373 374 154 158 377 157 160 378 159 379 380 382 383 161 162 384 388 389 390 391 392 393 164 165 395 167 397 398 168 170 400 169 401 402 171 172 403 406 407 408 409 410 411 174 175 412 176 177 413 414 415 416 417 418 419 179 180 421 181 422 423 183 184 185 186 425 187 426 188 427 190 428 429 189 430 189 431 432 193 192 195 434 194 435 436 437 197 198 438 440 442 443 444 445 446 447 200 202 448 201 449 450 203 204 451 453 454 455 456 457 458 206 207 459 208 460 461 211 462 463 215 218 465 212 216 220 466 468 469 217 467 214 222 226 470 232 471 225 472 473 228 474 475 223 230 476 479 480 481 224 229 482 238 483 484 239 240 485 250 488 489 490 491 492 233 246 493 494 495 496 245 497 498 235 243 499 236 500 501 241 244 502 237 503 504 251 252 507 255 256 508 509 510 511 512 513 514 515 516 517 248 249 518 257 519 520 262 522 523 253 525 526 527 528 529 530 531 532 259 533 534 260 264 535 536 537 538 539 540 541 545 546 261 263 548 267 549 550 266 551 552 265 553 554 269 557 558 274 561 562 559 560 271 273 565 568 569 272 277 570 571 276 572 574 575 576 281 579 580 581 582 282 285 586 280 289 587 286 292 588 589 590 591 291 594 595 288 300 596 290 597 598 599 600 303 304 602 302 603 604 299 301 605 296 305 606 607 608 609 306 307 613 309 311 614 310 615 616 620 621 622 623 624 625 626 627 318 629 630 314 632 633 317 320 634 324 638 639 641 642 643 319 321 644 315 326 645 330 646 647 322 323 648 327 325 651 652 653 654 655 328 656 657 332 660 661 662 663 664 665 333 666 667 669 1 1 1 1 2 2 2 2 2 1 1 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 1 2 2 2 2 1 1 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 125 66 127 131 334 1 1 126 65 128 135 335 1 1 136 68 138 134 348 2 1 137 67 139 142 350 1 1 139 137 143 141 353 2 1 145 70 149 144 362 2 1 148 69 151 152 367 1 1 154 72 158 153 377 2 1 155 71 157 160 378 1 1 163 73 164 165 395 1 1 166 74 168 170 400 1 1 173 75 174 175 412 1 1 178 76 179 180 421 1 1 182 77 185 186 425 1 1 191 78 192 195 434 1 1 199 81 200 202 448 1 1 205 82 206 207 459 1 1 209 83 215 218 465 1 1 210 212 220 216 466 2 1 212 84 210 217 467 1 1 213 214 226 222 470 2 1 214 85 213 232 471 1 1 219 86 223 230 476 1 1 221 88 229 224 482 2 1 227 89 233 246 493 1 1 231 91 235 243 499 1 1 234 90 244 241 502 2 1 242 94 248 249 518 1 1 254 92 260 264 535 1 1 258 97 263 261 548 2 1 268 98 271 273 565 1 1 272 100 276 270 572 2 1 278 102 285 282 586 2 1 280 104 289 279 587 2 1 283 103 286 292 588 1 1 287 105 288 300 596 1 1 293 109 301 299 605 2 1 294 113 305 296 606 2 1 297 111 307 306 613 2 1 298 108 311 309 614 2 1 308 112 320 317 634 2 1 312 115 319 321 644 1 1 313 117 326 315 645 2 1 316 116 322 323 648 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 87.2939 45.7247 7.2413 6.8204 8.4856 11.0837 4.6056 2.6166 2.4356 11.9497 13.6818 7.3635 9.3526 9.1715 4.561 17.1459 18.0119 16.2799 15.4138 21.476 20.61 23.2081 26.6722 27.5382 30.1363 32.7343 92.4901 35.3324 89.892 37.9305 95.0882 87.2939 84.6959 36.1984 40.5286 82.0978 34.4664 90.758 79.4997 89.026 43.1266 76.9016 43.9927 45.7247 42.2606 74.3036 76.0356 48.3228 76.9016 50.9209 75.1696 58.7151 61.3132 56.117 53.5189 71.7055 63.9113 66.5093 69.1074 57.8491 56.9831 55.251 65.6433 68.2414 6.7061 5.2381 9.3516 6.0069 11.9497 5.7812 14.5478 6.55 16.2799 18.8779 20.61 22.342 24.0741 25.8061 26.7197 26.8888 28.4042 31.0023 33.6004 90.758 93.3561 36.1984 33.6004 88.16 38.7965 85.5619 82.9638 41.3946 95.9542 80.3657 34.4664 32.7343 77.7677 43.9927 82.9638 76.0356 80.3657 46.5907 49.1888 74.3036 59.5811 74.3036 81.2318 51.7869 56.9831 79.4997 54.385 62.1792 72.5715 51.7869 64.7773 67.3754 69.9734 74.4081 75.8862 59.5811 52.6529 50.9209 67.3754 69.9734 5.5471 7.6196 4.7381 7.5151 6.0369 3.929 6.4982 4.2381 6.5369 5.8259 8.4856 5.4191 10.2177 4.4246 10.2177 4.0179 9.3516 11.0837 11.0837 5.6002 6.188 9.3516 3.0233 12.8158 7.1825 7.7703 12.8158 13.6818 6.369 5.9623 15.4138 8.7648 15.4138 4.9677 16.2799 16.2799 16.2799 17.1459 17.1459 17.1459 18.0119 19.744 16.2799 19.744 20.61 20.61 20.61 21.476 21.476 22.342 21.476 22.342 23.2081 22.342 21.476 23.2081 21.476 24.9401 22.342 20.61 24.9401 25.8061 22.342 20.61 21.476 25.8061 26.6722 26.6722 25.9107 25.8061 27.5382 27.3888 24.9401 25.8061 29.2702 29.2702 29.7702 30.1363 29.2702 30.7702 31.8683 31.8683 32.7343 32.7343 34.4664 91.6241 32.7343 91.6241 94.2221 94.2221 34.4664 92.4901 92.4901 35.3324 37.0645 90.758 89.026 95.0882 37.0645 89.892 35.3324 93.3561 39.6625 92.4901 89.026 37.9305 83.8298 95.0882 39.6625 86.4279 83.8298 40.1625 84.3298 95.0882 37.9305 36.1984 87.2939 81.2318 84.6959 86.4279 89.892 40.5286 33.6004 81.2318 82.0978 35.3324 39.6625 41.1625 82.0978 42.2606 83.8298 85.3298 87.2939 78.6337 82.0978 42.2606 79.4997 89.892 78.6337 43.1266 79.4997 43.1266 82.9638 44.8587 79.4997 76.9016 44.8587 76.0356 45.7247 43.1266 88.16 75.1696 45.7247 47.4568 75.1696 75.1696 75.1696 48.3228 50.0548 80.3657 47.4568 50.0548 60.4472 60.4472 76.0356 60.9472 50.9209 50.9209 57.8491 73.4375 46.5907 74.3036 55.251 52.6529 58.7151 61.3132 57.8491 50.9209 60.4472 61.9472 73.4375 56.117 55.251 63.0452 53.5189 58.7151 52.6529 65.6433 70.8395 56.117 71.7055 68.2414 63.9113 74.3036 65.6433 63.0452 66.5093 68.2414 69.1074 58.7151 66.5093 70.8395 75.2171 69.1074 51.7869 56.117 75.3862 66.5093 69.1074 5.9855 7.5872 4.3232 5.1529 7.5799 8.1351 5.6221 5.5353 3.3627 3.6191 4.3029 3.6316 5.9705 6.7285 5.1669 9.3516 10.2177 3.823 4.4678 10.7546 6.6235 4.6194 3.9746 8.7411 9.1396 11.3937 11.6206 10.7737 5.5714 11.9497 9.9716 9.3516 8.7316 12.2788 7.0116 7.7397 5.1646 7.9412 7.213 13.0278 13.4263 2 14.5478 6.5789 15.4138 15.2018 14.8033 11.9497 4.3662 5.011 16.8168 6.2979 7.1667 9.9692 16.8999 16.2799 15.6599 16.8359 17.6828 17.4559 15.7429 16.6089 3.9444 17.3579 17.7565 18.8779 19.207 19.5319 19.1334 20.61 15.7429 20.073 21.23 20.61 19.99 21.166 22.0129 21.786 21.476 22.879 22.962 22.342 21.722 22.8981 23.745 23.5181 22.879 22.879 21.264 20.8654 24.0741 24.9401 22.879 20.073 24.3295 24.7281 22.879 20.073 21.476 25.2692 26.1352 27.2827 26.8842 25.4499 26.3431 27.141 28.0054 28.4042 24.6301 24.4032 25.2501 26.4261 25.8061 25.1861 28.7333 28.6876 29.8691 29.1502 31.0023 28.7333 28.9602 29.8072 30.7702 31.3902 30.7702 31.8683 31.6563 31.2577 32.9464 33.3449 33.6004 33.9295 91.0871 92.161 32.5223 32.1238 93.6852 94.2221 33.8558 34.2543 92.7021 93.1007 37.0645 90.758 93.3561 91.068 90.2211 90.448 88.4891 95.6987 95.3002 36.5275 36.1984 34.1373 35.943 35.5445 93.0461 92.8192 93.6661 39.6625 93.1101 92.4901 91.8701 88.4154 88.8139 83.2929 39.0799 40.2614 85.891 83.2472 84.4287 88.16 38.7965 39.5425 84.6398 94.4682 95.0882 95.7082 38.2405 38.4674 37.6205 36.5084 35.6615 35.8884 80.6948 86.2159 85.8173 85.5619 90.5026 90.1041 82.9638 81.0197 80.6212 39.1256 39.3525 40.1995 41.1625 41.7825 41.1625 82.3098 82.7084 42.2606 83.2929 83.5198 84.3668 85.3298 85.9498 85.3298 41.3946 96.4911 95.9542 87.506 87.9045 80.3657 78.0967 81.8857 81.4872 42.0486 41.65 78.0231 78.4216 34.4664 35.0033 80.1103 79.7118 83.1759 83.5744 43.3387 43.7372 77.7677 32.7343 44.8587 43.9927 36.1984 78.8891 79.2877 44.2481 44.6466 75.4987 90.758 88.47 88.6969 87.85 83.5007 82.4269 74.9575 74.559 46.3353 45.9368 76.5725 80.9027 46.5907 47.4568 74.6327 49.5179 48.0768 47.4568 46.8368 43.9927 49.1888 49.4443 49.8428 59.9102 59.8645 61.046 76.4341 75.6371 73.7666 60.3272 51.5315 51.1329 57.3121 72.9006 46.2807 47.1277 46.9007 59.5811 74.3036 73.7666 54.7141 52.116 57.637 57.2385 81.2318 81.7687 51.7869 50.3103 50.7088 59.9102 60.1371 60.9841 61.9472 62.5672 61.9472 56.9831 73.2255 72.827 79.4997 54.6404 55.0389 62.5083 54.385 62.1792 72.5715 58.9272 59.3257 77.4386 53.2729 52.6529 52.0329 65.1064 70.3025 56.7276 56.3291 67.7044 52.3238 64.7773 65.0327 65.4313 63.6652 63.0452 62.4252 68.0293 67.6308 67.3754 69.9734 67.1199 66.7214 70.2195 70.8395 71.4595 75.346 69.3195 69.718 76.5028 75.6384 59.5811 60.1181 52.6529 53.1899 56.9831 50.9209 67.3754 67.9123 69.9734 70.5104 -4.3953 -5.3953 3.6587 4.9541 3.1047 0.6047 7.7993 8.0084 6.2858 0.1047 3.1047 10.1218 9.9128 8.1902 12.158 2.1047 1.6047 -2.3953 -0.8953 0.6047 -2.8953 -5.3953 -4.3953 -3.8953 -1.3953 -3.8953 -8.3953 -1.3953 -5.8953 -3.8953 -5.8953 -8.3953 -5.8953 -5.8953 -1.3953 -8.3953 -5.8953 -10.3953 -5.8953 -10.3953 -3.8953 -8.3953 0.6047 -1.3953 0.6047 -5.8953 -8.8953 -3.8953 -4.3953 -1.3953 -2.3953 -3.8953 -1.3953 -1.3953 -3.8953 -1.3953 -3.8953 -1.3953 -3.8953 0.6047 -5.8953 -5.8953 -5.8953 0.6047 2.0114 4.2496 1.6047 6.7812 2.1047 9.4173 1.6047 11.9489 0.6047 0.1047 -0.8953 -2.8953 -3.8953 -2.8953 -5.4886 -7.0977 -2.3953 -2.8953 -2.3953 -7.3953 -6.8953 -2.8953 0.6047 -6.8953 -2.3953 -7.3953 -6.8953 -2.8953 -7.3953 -7.3953 2.1047 2.1047 -6.8953 -2.3953 -2.8953 -5.8953 -10.3953 -2.8953 -2.3953 -3.8953 -2.3953 -8.8953 -11.8953 -2.8953 -2.8953 -11.8953 -2.3953 -2.8953 -2.8953 -5.8953 -2.3953 -2.8953 -2.3953 0.0992 -0.5589 0.6047 -7.3953 -7.3953 -5.8953 0.6047 3.2986 1.6047 2.7108 0.6102 1.2683 3.2986 2.9896 4.2496 0.4023 5.0587 2.1047 5.9722 2.1047 6.0767 3.1047 6.9903 3.6047 1.6047 3.6047 7.6948 8.5038 4.6047 7.0948 1.6047 8.3993 9.2083 0.6047 2.1047 10.2264 11.1399 2.1047 9.1038 3.1047 11.2444 3.6047 1.6047 4.6047 3.1047 0.1047 -0.8953 0.6047 0.6047 -1.3953 1.6047 2.1047 0.1047 3.1047 1.6047 -1.3953 -0.8953 -2.3953 0.1047 -1.3953 -3.8953 -4.3953 -4.3953 -5.3953 -4.3953 -5.8953 -5.8953 -5.3953 -3.8953 -6.8953 -6.8953 -7.3953 -5.8953 -2.3953 -1.3953 -6.8898 -0.8953 -2.8953 -6.2317 -1.3953 0.1047 -2.8953 -3.8953 -4.7613 -2.3953 -5.6274 -4.7613 -2.3953 -1.3953 -2.8953 -0.8953 -2.8953 -5.8953 0.1047 -6.8953 -8.3953 -7.3953 -3.8953 -5.3953 -7.3953 -2.3953 -2.3953 -5.3953 -7.3953 -8.8953 -1.3953 -6.8953 -4.3953 -8.8953 -2.8953 -4.3953 -8.3953 -2.8953 -7.3953 -6.8953 -3.8953 -6.8953 -8.3953 -4.7613 -9.2613 -9.8953 -0.8953 -0.8953 -7.3953 -6.8953 -6.8953 -5.8953 -8.8953 -2.3953 1.6047 -5.8953 -7.3953 -5.3953 -5.6274 -4.7613 -5.3953 -2.3953 -10.1274 -9.2613 -5.3953 -7.3953 -4.3953 -1.3953 -6.8953 -9.8953 -8.3953 -2.8953 -8.8953 -0.8953 -3.8953 -2.8953 -9.8953 -7.3953 -3.8953 -6.8953 -2.3953 0.1047 -3.8953 -7.3953 -4.3953 -2.3953 -5.3953 -4.3953 -8.3953 -2.8953 -2.8953 -11.3953 -1.3953 -3.8953 -2.8953 -3.8953 -3.8953 -4.7613 -4.3953 -2.3953 -2.3953 -2.3953 -5.8953 -2.8953 -2.8953 -2.3953 -2.8953 -2.3953 -1.3953 -5.3953 -5.6274 -4.7613 -1.3953 -2.3953 -3.8953 -2.3953 -2.8953 -0.8953 -1.3953 -2.8953 -2.8953 -4.3953 -2.3953 -2.3953 -2.8953 -0.8953 -3.8953 -1.3953 -2.3953 -1.3953 -2.8953 0.1047 -4.3953 -3.8953 -1.302 -0.8953 -6.8953 -5.3953 0.3071 -5.3953 0.1047 3.737 2.2238 2.25 2.25 -0.0064 0.6102 1.729 0.9039 3.5508 2.7616 4.8662 4.3786 0.1501 -0.1874 6.5386 0.9847 1.4847 5.9268 5.4582 2.7947 6.7164 7.1403 7.6088 3.7124 3.0221 3.0678 3.9147 4.1416 8.5686 2.7247 4.6047 5.2247 4.6047 1.2947 7.8033 8.1275 9.4821 9.8043 9.4801 0.0221 0.7124 8.0732 0.9847 11.0751 1.4847 3.6873 2.997 -0.5153 11.0944 10.6259 3.9147 12.5153 11.8841 9.848 4.6047 5.2247 4.6047 2.5678 2.7947 3.6416 0.2947 -0.2053 12.2228 -1.4779 -0.7876 -0.5153 0.9147 2.1873 1.497 1.4847 -2.7053 -1.2053 3.1047 3.7247 3.1047 1.0678 1.2947 2.1416 -0.7753 -0.5853 0.1047 0.7247 0.1047 -1.9322 -1.7053 -0.8584 -2.5853 -3.5853 -3.8127 -4.503 -3.2753 -3.7753 -5.5853 -5.5853 -5.2876 -5.9779 -7.2053 -7.2053 -8.0153 -2.5853 -2.0853 -1.503 -0.8127 -7.3047 -0.5853 -7.6641 -6.1669 -1.7753 -0.8584 -1.7053 -1.9322 0.1047 0.7247 0.1047 -3.2053 -3.6833 -3.7348 -4.7613 -3.5153 -5.3174 -6.1643 -5.9374 -5.3813 -4.7613 -4.1413 -3.0153 -0.8127 -1.503 -1.4779 -0.7876 -1.7753 -3.2053 -6.2053 -7.2053 0.6873 -0.003 -8.0853 -6.7753 -3.7876 -4.4779 -5.9779 -5.2876 -3.0153 -8.0153 -6.2753 -4.8584 -5.0853 -5.9322 -7.7053 -9.003 -8.3127 -1.7053 -3.5153 0.2947 -4.503 -3.8127 -8.3584 -9.2053 -9.4322 -2.2753 -4.3953 -3.7753 -4.3953 -8.2876 -8.9779 -7.7053 -3.6833 -3.7348 -6.5853 -8.1833 -8.2348 -6.2753 -1.7753 -4.7613 -8.7244 -9.8953 -10.5153 -9.8953 -1.4322 -0.5853 -0.3584 -0.3584 -0.5853 -1.4322 -6.5853 -5.3127 -6.003 -8.0153 -9.003 -8.3127 -6.2753 -5.3127 -6.003 -5.3174 -6.1643 -5.9374 -5.3813 -4.7613 -4.1413 -5.9779 -5.2876 -3.0153 -9.8174 -10.6643 -10.4374 -9.8813 -9.2613 -8.6413 -3.5153 -7.0853 -8.0153 -5.9779 -5.2876 -8.0153 -7.7053 -3.8127 -4.503 -0.8127 -1.503 -8.2876 -8.9779 2.7247 1.7947 -9.003 -8.3127 -4.4779 -3.7876 -1.4779 -0.7876 -6.2753 2.7247 -2.2753 -1.7753 -6.5153 -9.7876 -10.4779 -3.7876 -4.4779 -6.5853 -11.0153 -4.4322 -3.5853 -3.3584 -2.5853 -2.5853 -6.8127 -7.503 -4.503 -3.8127 -5.5853 -10.0853 -3.5153 -3.0153 -4.7053 -3.2053 -1.3953 -0.7753 -1.3953 1.2247 -1.7753 -3.7876 -4.4779 -3.2053 -3.6833 -3.7348 -3.4204 -3.4204 -4.2053 -4.7613 -4.503 -3.8127 -2.0853 -2.0853 -6.4322 -6.2053 -5.3584 -1.7753 -9.5153 -8.5853 -3.2053 -2.0853 -0.8127 -1.503 -12.5153 -11.5853 -3.5153 -5.2876 -5.9779 -5.3174 -6.1643 -5.9374 -5.3813 -4.7613 -4.1413 -3.5153 -0.8127 -1.503 -12.5153 -3.7876 -4.4779 -2.0853 -1.7753 -3.5153 -3.5153 -1.4779 -0.7876 -4.0853 -1.3953 -0.7753 -1.3953 -3.2053 -3.2053 -4.503 -3.8127 -2.0853 -5.5853 -1.7753 -3.7876 -4.4779 -1.3953 -0.7753 -1.3953 -0.8127 -1.503 -3.5153 -1.7753 -4.503 -3.8127 -3.8953 -4.5153 -3.8953 -1.9085 -1.4779 -0.7876 -0.6237 0.8735 1.2247 0.2947 -8.0153 -7.0853 -6.5153 -8.0153 -6.5153 -5.5853 1.2247 0.2947 8 8 8 8 8 8 8 8 6 6 6 5 6 5 6 6 5 6 5 5 6 8 8 6 8 8 8 8 8 5 6 5 6 5 5 6 6 5 6 6 6 5 5 5 6 6 6 5 5 6 6 5 5 6 5 5 6 6 5 8 79 79 80 80 118 118 119 119 125 126 136 137 139 145 148 154 155 163 166 173 178 181 181 182 183 184 187 188 190 191 199 205 209 210 212 213 214 219 221 227 231 234 242 254 258 268 272 278 280 283 287 293 294 297 298 308 312 313 316 318 190 196 193 196 318 331 327 331 131 135 68 67 143 70 69 72 71 73 74 75 76 183 184 77 187 188 189 189 193 78 81 82 83 220 84 226 85 86 88 89 91 90 94 92 97 98 100 102 104 103 105 109 113 111 108 112 115 117 116 327 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 11700 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 166 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07FFE00600000000000000000000000000162C58B0030000000000000000001F000001E04100800000D28E5DE06BF9897C99208A80335F77C0002802DB112B009D981B870888A783EE0D9319460002EB602D8C827BF9F828E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4S)-5-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-carboxy-propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-carboxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-carboxy-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-5-oxo-pentanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-carboxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-carbamimidamido-1-oxopentyl]amino]-4-carboxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-carboxy-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-5-carbamimidamido-1-oxopentyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4<I>S</I>)-5-[[(2<I>S</I>)-5-amino-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-5-amino-1-[[(2<I>S</I>)-5-amino-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-4-amino-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-6-amino-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-1-[[(2<I>S</I>)-1-[[(2<I>S</I>,3<I>S</I>)-1-[[(2<I>S</I>,3<I>S</I>)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1<I>H</I>-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>,3<I>S</I>)-2-[[(2<I>S</I>)-1-[(2<I>S</I>)-1-[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-amino-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1<I>H</I>-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4S)-5-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-carbamimidamido-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4S)-5-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-carboxy-propyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]prolyl]prolyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-carboxy-butanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-carboxy-butanoyl]amino]-4-(methylthio)butanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-5-keto-valeric acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C209H346N60O62S2/c1-31-108(22)163(166(216)291)265-204(329)165(110(24)33-3)266-185(310)130(59-68-158(285)286)244-183(308)132(71-79-333-30)247-188(313)135(81-100(6)7)251-177(302)119(46-37-38-72-210)238-175(300)121(48-40-74-226-208(219)220)240-195(320)144(90-153(215)276)257-198(323)146(95-271)261-194(319)142(88-116-92-223-97-228-116)249-170(295)114(28)231-173(298)123(52-61-150(212)273)241-178(303)124(53-62-151(213)274)235-169(294)113(27)233-186(311)134(80-99(4)5)250-182(307)125(54-63-152(214)275)242-179(304)126(55-64-154(277)278)236-168(293)112(26)230-172(297)120(47-39-73-225-207(217)218)234-167(292)111(25)232-174(299)131(70-78-332-29)246-180(305)128(57-66-156(281)282)245-189(314)139(85-104(14)15)259-201(326)161(106(18)19)263-184(309)129(58-67-157(283)284)243-176(301)122(49-41-75-227-209(221)222)239-187(312)136(82-101(8)9)252-190(315)137(83-102(10)11)253-193(318)143(89-117-93-224-98-229-117)256-192(317)141(87-115-44-35-34-36-45-115)260-202(327)162(107(20)21)264-197(322)140(86-105(16)17)254-196(321)145(91-160(289)290)258-191(316)138(84-103(12)13)255-199(324)147(96-272)262-203(328)164(109(23)32-2)267-200(325)148-50-42-76-268(148)206(331)149-51-43-77-269(149)205(330)133(60-69-159(287)288)248-181(306)127(56-65-155(279)280)237-171(296)118(211)94-270/h34-36,44-45,92-93,97-114,118-149,161-165,270-272H,31-33,37-43,46-91,94-96,210-211H2,1-30H3,(H2,212,273)(H2,213,274)(H2,214,275)(H2,215,276)(H2,216,291)(H,223,228)(H,224,229)(H,230,297)(H,231,298)(H,232,299)(H,233,311)(H,234,292)(H,235,294)(H,236,293)(H,237,296)(H,238,300)(H,239,312)(H,240,320)(H,241,303)(H,242,304)(H,243,301)(H,244,308)(H,245,314)(H,246,305)(H,247,313)(H,248,306)(H,249,295)(H,250,307)(H,251,302)(H,252,315)(H,253,318)(H,254,321)(H,255,324)(H,256,317)(H,257,323)(H,258,316)(H,259,326)(H,260,327)(H,261,319)(H,262,328)(H,263,309)(H,264,322)(H,265,329)(H,266,310)(H,267,325)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H4,217,218,225)(H4,219,220,226)(H4,221,222,227)/t108-,109-,110-,111-,112-,113-,114-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,161-,162-,163-,164-,165-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KLVRDXBAMSPYKH-RKYZNNDCSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -12.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 4754.5274597 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C209H346N60O62S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 4755 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(C)C(C(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CC1=CNC=N1)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2030 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 4752.5207500 333 44 44 0 0 0 0 0 1 -1