16133150 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 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103 103 104 104 104 105 106 106 106 107 107 109 109 110 110 111 111 111 112 112 113 113 113 115 116 116 117 117 117 118 118 119 119 119 120 120 120 121 123 123 123 124 125 126 126 127 127 128 128 128 129 129 129 130 130 130 131 131 131 132 132 133 133 133 134 134 134 135 135 135 136 137 137 138 139 139 140 140 142 142 143 143 143 145 145 145 146 146 149 149 150 150 151 151 151 152 152 152 153 153 153 155 155 155 156 156 156 159 159 159 160 160 161 161 161 163 163 163 164 164 166 166 166 167 167 167 168 168 168 169 169 170 170 172 172 172 173 174 175 175 176 176 176 177 177 178 178 180 180 180 181 181 182 182 184 184 185 185 185 187 187 187 188 188 188 189 189 189 193 193 193 194 194 194 195 196 196 197 197 197 198 198 198 199 199 199 200 200 200 202 202 203 203 203 204 204 204 205 205 205 206 206 206 208 208 3 107 4 110 135 145 6 149 176 88 90 92 95 100 105 108 114 115 122 125 136 141 146 328 144 147 148 154 157 158 162 164 365 171 173 174 179 388 184 390 179 183 186 395 190 191 192 195 201 207 79 81 88 83 86 92 84 100 229 90 98 233 91 105 236 95 103 241 102 115 255 108 111 259 109 125 265 114 131 273 121 124 274 116 136 275 122 134 289 126 144 297 143 148 308 141 151 309 139 154 312 140 157 317 142 165 318 147 161 320 150 173 326 156 158 327 153 174 331 162 172 334 171 185 355 165 360 361 177 183 363 165 368 175 195 369 178 191 371 187 192 372 190 193 382 196 201 389 202 403 404 207 407 408 208 409 410 80 90 209 82 210 211 82 212 213 214 215 85 95 216 88 89 217 87 218 219 87 220 221 222 223 94 96 224 92 93 225 97 99 226 101 227 228 230 231 232 104 234 235 107 108 237 238 239 240 102 242 243 244 106 245 110 114 246 247 248 249 109 112 250 251 252 253 117 254 256 257 113 122 258 118 121 119 123 260 116 120 261 262 263 264 124 127 128 266 267 129 130 268 269 270 271 272 132 126 133 276 137 277 278 279 280 281 282 283 284 285 286 141 287 288 138 290 142 291 292 146 147 293 139 294 295 140 138 296 298 148 299 149 300 301 302 144 152 303 150 304 305 306 307 310 311 162 313 155 158 314 160 315 316 154 159 319 163 321 322 157 164 323 166 167 324 169 170 168 171 325 179 329 330 332 333 338 339 340 335 336 337 341 342 343 181 344 182 345 183 184 346 178 175 180 347 177 348 349 190 350 351 352 188 353 354 186 356 186 357 358 359 192 197 362 189 191 364 194 366 367 198 199 370 200 201 373 202 374 375 196 203 376 377 378 379 205 380 381 383 384 385 204 386 387 391 392 207 393 394 206 396 397 398 399 400 208 401 402 405 406 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 1 1 2 2 2 1 1 1 1 2 2 1 1 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 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 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 2 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 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 79 43 80 90 209 3 1 83 44 85 95 216 3 1 84 45 88 89 217 3 1 89 84 94 96 224 3 1 91 47 92 93 225 3 1 93 91 97 99 226 3 1 98 46 107 108 237 3 1 102 49 100 106 245 3 1 103 48 110 114 246 3 1 109 51 105 117 254 3 1 111 50 113 122 258 3 1 113 111 119 123 260 3 1 116 54 115 120 261 3 1 126 56 125 133 276 3 1 134 55 146 147 293 3 1 139 59 135 148 299 3 1 140 60 136 149 300 3 1 143 57 144 152 303 3 1 150 63 145 162 313 3 1 151 58 155 158 314 3 1 153 65 154 159 319 3 1 156 64 157 164 323 3 1 161 62 168 171 325 3 1 172 66 183 184 346 3 1 175 71 174 180 347 3 1 177 69 176 190 350 3 1 185 67 192 197 362 3 1 187 73 189 191 364 3 1 189 187 198 199 370 3 1 193 74 200 201 373 3 1 196 75 195 203 376 3 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 8.1034 13.1556 8.0992 13.7441 10.5372 11.1257 8.037 7.4629 10.82 11.2212 8.1362 9.2559 6.5621 12.1798 9.6672 6.3257 8.5848 10.5316 12.1721 9.3563 7.7398 10.1992 7.2298 5.3866 11.2932 11.8623 13.9265 12.468 11.6352 14.6405 7.2956 14.6389 16.6863 14.2663 13.5205 7.597 12.8579 16.3575 12.4865 8.2549 9.5464 8.7353 8.5384 10.1216 8.9712 8.2373 9.5911 11.1024 9.4847 7.5602 9.0685 11.216 6.6034 10.0186 7.6696 8.6153 8.2847 11.1462 7.1747 10.5101 6.3578 9.4538 15.8736 10.9013 5.8352 15.5094 12.0753 5.1252 13.703 4.6878 6.6554 16.5922 14.1816 11.45 9.0151 2.3524 7.104 13.2426 8.4213 7.3182 8.3664 7.2688 10.9306 8.8151 11.7396 10.4306 11.4306 8.6702 8.5952 8.3205 9.7702 9.9478 9.8423 9.2011 11.0255 8.5479 10.6526 8.1729 8.8904 9.1362 8.8151 9.3082 11.1602 10.7355 9.4129 9.0839 8.1281 7.5055 9.238 12.1547 6.7229 8.1932 5.8308 11.1983 9.6636 9.8423 8.9687 8.0393 4.8323 9.9606 7.3076 6.7776 5.7761 7.0515 8.9069 8.7551 8.668 4.2857 10.0789 11.0176 11.2131 6.6922 8.1763 8.507 8.1156 10.1902 8.3087 7.3208 8.1524 10.3548 11.1898 7.1807 8.3785 8.4892 14.7385 8.6266 9.3991 8.209 10.9432 15.3269 11.083 7.954 6.5768 6.3666 11.9969 10.7852 10.6542 11.001 7.5286 7.8647 10.3459 14.921 12.9579 11.5081 5.3903 7.5714 7.9274 10.4006 8.6827 6.9575 11.1833 15.1034 15.5362 6.5061 6.1993 12.1201 12.7085 16.2809 13.6778 5.2026 8.5934 6.8683 14.109 15.6919 13.0257 7.6862 14.9263 4.7742 14.5947 12.4018 15.9248 13.2313 10.7084 3.7775 7.6072 8.0633 13.1672 15.246 13.9605 10.9186 9.7566 3.3491 7.4156 11.8704 14.9144 12.0806 7.7516 13.0324 7.8716 7.3229 6.6984 8.2926 8.9805 6.65 7.218 11.5392 9.0667 12.0496 12.306 10.4954 9.8241 12.037 11.3658 7.9808 9.3512 9.2844 9.7228 9.6216 8.905 7.9286 8.5186 9.1672 7.6403 10.8903 11.2647 9.969 8.7633 9.2383 8.3772 8.5425 11.6274 8.2431 8.5757 9.387 9.6521 10.5629 11.3539 10.7802 10.1171 9.2308 9.7039 7.5451 8.7362 8.6892 9.4159 11.9056 12.0851 6.689 8.1758 6.35 10.3403 9.5658 8.8018 8.3716 9.258 4.9732 4.2622 9.345 7.2112 5.157 5.7422 6.3952 11.7893 5.9834 10.1621 8.1411 9.2804 3.7665 3.9468 4.8048 9.4632 10.1522 10.6945 10.7733 11.5874 11.2619 11.7191 10.5948 7.7036 6.0797 8.7365 8.012 7.9805 7.6382 8.7288 8.6984 8.2872 7.098 7.7387 10.0777 6.6968 7.4133 7.7595 15.2955 14.5671 8.0157 8.3503 7.7388 11.7379 11.4575 11.3735 6.6558 15.8716 11.655 7.365 8.5525 10.849 6.0922 6.7071 9.1736 11.5932 12.332 11.4044 8.1428 9.8267 16.4461 11.3957 9.2154 13.4592 12.6857 5.216 11.0084 11.7828 16.1259 8.5175 8.1176 7.3373 6.9519 7.5945 8.191 11.0197 10.4345 9.7815 9.2451 6.4504 15.72 5.8977 12.6771 11.9487 13.0995 16.5118 15.7617 5.2606 4.6048 12.0282 9.1005 6.3058 15.1348 15.8632 4.5254 5.5608 12.6984 14.0678 14.3258 12.9162 4.7162 5.3721 4.0879 6.0715 14.0544 17.1989 14.3091 11.2985 3.8355 3.1796 8.233 13.7809 13.2549 12.5534 15.6392 15.7863 11.3197 14.4398 13.5673 13.4812 10.2991 10.8338 14.3666 9.1454 17.0511 3.2911 3.9469 7.0201 6.8767 7.0345 12.49 11.9553 15.4993 14.7088 14.3295 11.4611 11.9958 2.0868 2 13.652 13.1172 7.3123 6.4941 13.8327 12.7828 1.7098 2.4788 1.8889 1.6703 -1.282 -2.0905 -0.1454 0.5189 3.8569 3.5655 0.3578 4.3632 1.7722 1.8871 -0.724 5.5395 4.149 -0.5702 1.3565 2.8761 3.5302 5.6044 2.6154 1.4608 -0.1334 0.5351 -0.0521 0.3477 5.0162 3.454 -1.7423 0.6552 -2.3724 -0.4298 -0.966 7.6168 -4.6354 6.2732 4.4029 -2.5151 -2.8252 -6.0506 0.7498 3.3244 0.4353 1.1919 3.3936 2.423 0.2857 3.1023 3.2794 1.9003 -1.3636 0.3183 5.0993 2.9953 2.5748 1.37 2.0323 0.5295 4.3973 6.003 1.8045 0.8944 -0.3869 -0.7553 6.3602 5.6141 -2.6884 3.9383 -2.9702 4.6269 4.759 -3.4387 -4.4737 -4.1299 -6.6326 -7.6561 0.8853 0.873 -0.3399 -0.229 2.7367 0.5233 3.3244 4.2755 4.2755 0.6286 -0.4522 1.0333 3.391 3.3678 4.3884 -1.2477 2.5848 -1.4511 4.9743 1.3591 5.0336 0.3658 -2.1702 0.3157 2.2536 6.1213 3.3756 -0.6588 1.5324 2.1038 3.3374 2.3589 3.6489 -1.1134 3.197 2.0785 0.276 0.287 4.3005 -2.0955 3.2517 -0.706 -0.6621 4.6474 2.1985 -2.251 3.2023 3.1072 -2.8733 2.4144 -1.699 -1.1591 1.7212 -3.1842 3.9226 4.5527 2.0672 0.3697 -3.8066 -3.962 2.2425 0.4404 1.5437 3.829 2.7273 2.8681 1.7756 3.5598 5.0045 2.4124 -0.3681 0.9671 1.2024 3.6327 0.2839 1.2616 0.7964 0.758 0.6359 1.0431 -0.0228 4.6287 6.4549 0.0532 1.0728 0.0671 4.65 -1.172 1.2145 7.4534 5.204 5.0494 5.9083 -1.6692 3.0092 -1.1285 -2.0803 -1.9852 -2.7937 3.6766 0.3787 -2.1611 6.2 6.0454 -1.7745 -2.4777 6.0489 6.6208 5.4264 -3.0647 6.3698 -3.7455 5.3716 5.0703 -4.1096 -3.1455 -3.277 -4.1669 7.0388 7.1286 7.1429 -5.0873 -3.8028 -4.0491 -4.9289 -5.394 8.0721 -6.3717 -5.8707 -6.6785 1.1721 1.493 0.8892 -0.9555 -0.4251 -0.1897 -0.8469 2.6184 -0.0434 2.7875 3.5766 4.8921 4.4044 4.4044 4.8921 -0.369 3.848 4.1178 -1.5828 -0.7921 -0.1811 -1.4218 -2.0704 -1.4805 1.359 4.4016 5.0734 3.8851 1.5485 5.5468 5.3815 4.5204 2.7528 -1.9309 -2.7422 -2.4096 -0.2002 2.0873 6.0766 6.7397 6.1659 -1.2612 -0.6548 1.7434 1.6529 3.626 -0.3305 1.7911 2.975 3.0298 3.1764 2.8581 -0.0823 4.4674 4.8976 4.1336 3.8697 3.8555 3.4953 -0.7793 -0.0496 2.2324 1.5794 2.1646 2.1364 -1.3727 -0.2848 3.1933 -2.7769 2.7533 1.8952 2.0754 -1.7723 -2.3146 -1.6257 -1.729 -1.4035 -0.5893 1.363 1.7667 5.7184 -3.2806 4.1882 4.5204 4.2253 2.4628 1.9751 -4.2888 3.5214 -4.5406 2.7043 0.9951 3.4414 3.2543 2.7623 2.0479 2.3715 3.6654 3.0048 2.8686 1.1849 -0.7144 0.0782 2.3715 0.6709 1.4416 3.8265 3.7944 0.0103 4.9575 -0.3222 6.5561 0.3258 0.2747 0.7898 -0.1077 6.7938 1.5666 0.5202 2.2723 1.4376 1.6298 -0.3559 -0.2999 -0.4888 -0.69 1.0243 1.8046 1.4047 -1.1951 -1.7916 -1.1489 7.4195 8.0725 7.4873 4.9432 4.6928 -1.6039 -2.6219 -1.713 -1.3894 -3.275 3.1012 4.0155 -1.5438 -1.9968 6.9784 6.5567 6.3063 -2.75 -3.0736 5.7708 6.0554 6.5755 -3.1897 5.5804 -0.0807 -3.682 -3.229 4.0949 -3.1786 6.0658 4.7544 4.1522 -4.2998 -2.5282 -2.9812 -4.7633 6.9511 7.6526 7.1266 6.6493 7.4327 -2.8326 7.5362 7.6223 6.7497 -5.1104 -5.7014 1.2122 -5.0799 -2.8737 -4.6664 -4.2134 -4.4514 -5.2354 7.8776 -5.371 -4.7799 8.2777 8.657 7.8665 -6.3948 -6.9859 -4.6901 -3.6198 -6.6554 -6.0643 -7.2166 -6.5211 -7.8463 -8.0721 8 8 3 3 3 3 3 3 3 3 3 3 3 8 8 3 3 8 8 8 3 8 8 3 8 3 3 3 3 3 3 3 8 8 3 8 8 3 3 3 8 8 3 3 3 3 3 53 53 79 83 84 89 91 93 98 102 103 109 111 112 112 113 116 118 118 124 126 127 132 134 137 139 140 143 150 151 153 156 160 160 161 169 170 172 175 177 181 182 185 187 189 193 196 121 124 80 85 88 96 92 99 107 106 110 117 122 118 121 123 120 124 127 132 133 137 138 146 138 135 149 152 145 155 159 164 169 170 168 181 182 184 180 176 186 186 197 191 199 200 203 0 Compound Canonicalized 5 2011.04.04 0 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 6920 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 45 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 39 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 34 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371F07FFE00700000000000000000000000000162C5800030600000000000005801F400001E04100800000D2CE5DE06BFCEF3C99200A80335F77C00828020B1222009D9A1BE6C988A76FEC2D9B394700866F613D8D807BDDFE28EA0000000000200004000000000040000000000000000 InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C130H202N36O36S6/c1-16-63(9)99-124(197)139-51-95(173)144-86-56-204-203-55-85-106(179)138-50-94(172)143-77(38-39-96(174)175)109(182)151-83(53-168)115(188)155-89-59-207-205-57-87(154-116(189)84(54-169)152-117(86)190)118(191)146-75(30-22-24-41-131)108(181)149-81(48-93(133)171)112(185)145-76(31-23-25-42-132)110(183)159-98(62(7)8)126(199)158-88(119(192)148-79(46-70-34-36-72(170)37-35-70)111(184)147-78(40-43-136-130(134)135)107(180)141-69(15)105(178)163-101(65(11)18-3)128(201)165-44-26-32-91(165)122(195)156-85)58-206-208-60-90(121(194)162-100(64(10)17-2)127(200)153-82(52-167)114(187)142-67(13)103(176)140-68(14)104(177)161-99)157-123(196)92-33-27-45-166(92)129(202)102(66(12)19-4)164-113(186)80(150-125(198)97(61(5)6)160-120(89)193)47-71-49-137-74-29-21-20-28-73(71)74/h20-21,28-29,34-37,49,61-69,75-92,97-102,137,167-170H,16-19,22-27,30-33,38-48,50-60,131-132H2,1-15H3,(H2,133,171)(H,138,179)(H,139,197)(H,140,176)(H,141,180)(H,142,187)(H,143,172)(H,144,173)(H,145,185)(H,146,191)(H,147,184)(H,148,192)(H,149,181)(H,150,198)(H,151,182)(H,152,190)(H,153,200)(H,154,189)(H,155,188)(H,156,195)(H,157,196)(H,158,199)(H,159,183)(H,160,193)(H,161,177)(H,162,194)(H,163,178)(H,164,186)(H,174,175)(H4,134,135,136) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 NNXOZAGDZOFVCT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -5.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 3036.344028 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C130H202N36O36S6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 3037.60448 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCC(C)C1C(=O)NCC(=O)NC2CSSCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)C)CO)C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC4=O)C(C)C)CC6=CNC7=CC=CC=C76)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N8CCCC8C(=O)N3)C(C)CC)C)CCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCC(C)C1C(=O)NCC(=O)NC2CSSCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)C)CO)C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC4=O)C(C)C)CC6=CNC7=CC=CC=C76)C(C)CC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N8CCCC8C(=O)N3)C(C)CC)C)CCNC(=N)N)CC9=CC=C(C=C9)O)C(C)C)CCCCN)CC(=O)N)CCCCN)NC(=O)C(NC2=O)CO)CO)CCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 1270 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 3035.340673 208 31 0 31 0 0 0 0 1 1000