BC 197
HIT214317815
sdf文件结构编辑类似物检索
HIT ID: HIT214317815
Cas No: 115295-08-4
分子式: C60H81N11O17S
分子量: 1260.43
常用名: BC 197
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-[(2S)-2-[(2S)-2-{[(3S,6S,9R,17R)-9-{[(tert-butoxy)carbonyl]amino}-3-butyl-2,5,8,11-tetraoxo-6-{[4-(sulfooxy)phenyl]methyl}-1,4,7,12-tetraazacycloheptadecan-17-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
IUPAC: (3S)-3-[(2S)-2-[(2S)-2-{[(3S,6S,9R,17R)-9-{[(tert-butoxy)carbonyl]amino}-3-butyl-2,5,8,11-tetraoxo-6-{[4-(sulfooxy)phenyl]methyl}-1,4,7,12-tetraazacycloheptadecan-17-yl]formamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES: CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI key: RGJCMCCPAYOLOE-KVBCWHEJSA-N
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