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0 0 0 191205 1 0 0 0 0 191417 1 0 0 0 0 193208 2 0 0 0 0 193209 1 0 0 0 0 194207 1 0 0 0 0 194418 1 0 0 0 0 195419 1 0 0 0 0 195420 1 0 0 0 0 196202 1 0 0 0 0 196203 1 0 0 0 0 196422 1 0 0 0 0 198210 1 0 0 0 0 198424 1 0 0 0 0 199425 1 0 0 0 0 199426 1 0 0 0 0 201213 2 0 0 0 0 201214 1 0 0 0 0 202212 1 0 0 0 0 202427 1 0 0 0 0 202428 1 0 0 0 0 205431 1 0 0 0 0 205432 1 0 0 0 0 207433 1 0 0 0 0 207434 1 0 0 0 0 207435 1 0 0 0 0 208217 1 0 0 0 0 208437 1 0 0 0 0 209218 2 0 0 0 0 209438 1 0 0 0 0 210439 1 0 0 0 0 210440 1 0 0 0 0 210441 1 0 0 0 0 212223 1 0 0 0 0 212442 1 0 0 0 0 212443 1 0 0 0 0 213220 1 0 0 0 0 213446 1 0 0 0 0 214221 2 0 0 0 0 214447 1 0 0 0 0 215216 1 0 0 0 0 216222 1 0 0 0 0 216449 1 0 0 0 0 217219 2 0 0 0 0 217451 1 0 0 0 0 218219 1 0 0 0 0 218452 1 0 0 0 0 220224 2 0 0 0 0 220458 1 0 0 0 0 221224 1 0 0 0 0 221459 1 0 0 0 0 222228 1 0 0 0 0 222460 1 0 0 0 0 222461 1 0 0 0 0 224463 1 0 0 0 0 226227 1 0 0 0 0 227229 1 0 0 0 0 227469 1 0 0 0 0 229476 1 0 0 0 0 229477 1 0 0 0 0 229478 1 0 0 0 0 230231 1 0 0 0 0 231232 1 0 0 0 0 231480 1 0 0 0 0 232233 1 0 0 0 0 232482 1 0 0 0 0 232483 1 0 0 0 0 233234 2 0 0 0 0 233235 1 0 0 0 0 234236 1 0 0 0 0 234486 1 0 0 0 0 235237 2 0 0 0 0 235487 1 0 0 0 0 236238 2 0 0 0 0 236488 1 0 0 0 0 237238 1 0 0 0 0 237489 1 0 0 0 0 M END > 56841945 > 1 > 7710 > 48 > 52 > 118 > AAADcfB//gAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgAQCAAADTzhmAYzDoLAAgCoAiHSOAACAACgIAAJiIGOCIiKdj6CmTOUcAAm9hOYmAe/y6COIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (3S)-4-[[(1S)-2-[[(1S,2S)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-hydroxy-propyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxo-butanoic acid > (3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid > (3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid > (3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid > (3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-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-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-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]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoic acid > (3S)-4-[[(1S)-2-[[(1S,2S)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-(carboxymethyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-hydroxy-propyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-keto-1-methyl-ethyl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-keto-butyric acid > InChI=1S/C152H252N44O42/c1-22-79(15)118(194-125(214)84(20)171-135(224)107(68-115(206)207)181-124(213)81(17)169-126(215)91(155)65-87-41-45-89(201)46-42-87)147(236)189-106(66-86-34-25-24-26-35-86)141(230)196-120(85(21)200)149(238)180-99(51-54-114(158)205)132(221)190-111(72-199)145(234)185-105(67-88-43-47-90(202)48-44-88)140(229)178-96(40-33-59-168-152(164)165)128(217)177-94(37-28-30-56-154)133(222)193-117(78(13)14)146(235)187-100(60-73(3)4)134(223)170-82(18)123(212)175-97(49-52-112(156)203)130(219)183-103(63-76(9)10)138(227)191-109(70-197)143(232)172-83(19)122(211)174-95(39-32-58-167-151(162)163)127(216)176-93(36-27-29-55-153)129(218)182-102(62-75(7)8)137(226)184-101(61-74(5)6)136(225)179-98(50-53-113(157)204)131(220)186-108(69-116(208)209)142(231)195-119(80(16)23-2)148(237)188-104(64-77(11)12)139(228)192-110(71-198)144(233)173-92(121(159)210)38-31-57-166-150(160)161/h24-26,34-35,41-48,73-85,91-111,117-120,197-202H,22-23,27-33,36-40,49-72,153-155H2,1-21H3,(H2,156,203)(H2,157,204)(H2,158,205)(H2,159,210)(H,169,215)(H,170,223)(H,171,224)(H,172,232)(H,173,233)(H,174,211)(H,175,212)(H,176,216)(H,177,217)(H,178,229)(H,179,225)(H,180,238)(H,181,213)(H,182,218)(H,183,219)(H,184,226)(H,185,234)(H,186,220)(H,187,235)(H,188,237)(H,189,236)(H,190,221)(H,191,227)(H,192,228)(H,193,222)(H,194,214)(H,195,231)(H,196,230)(H,206,207)(H,208,209)(H4,160,161,166)(H4,162,163,167)(H4,164,165,168)/t79-,80-,81+,82-,83-,84-,85+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-,120-/m0/s1 > XOZMWINMZMMOBR-HRDSVTNWSA-N > -10.7 > 3366.8969331 > C152H252N44O42 > 3367.9 > CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N > CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N > 1450 > 3365.8935782 > 0 > 238 > 32 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 150 174 5 193 208 8 193 209 8 201 213 8 201 214 8 208 217 8 209 218 8 213 220 8 214 221 8 217 219 8 218 219 8 220 224 8 221 224 8 233 234 8 233 235 8 234 236 8 235 237 8 236 238 8 237 238 8 198 28 6 90 43 6 88 44 5 89 45 5 95 46 6 102 47 6 100 48 6 106 49 5 108 50 6 117 51 5 136 52 6 122 53 5 124 54 5 148 55 6 139 56 6 167 57 5 159 58 5 154 59 6 152 61 6 161 62 6 176 63 6 178 64 5 164 66 5 188 70 5 196 71 6 191 72 5 194 73 5 216 80 6 227 85 5 231 86 6 87 103 5 $$$$