Name: BC 197
Rating: 5 (10 reviews)

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HIT ID:HIT214317815
Cas No:115295-08-4
常用名:BC 197
别名:Boc-asp-tyr(SO3H)-ahx-lys-trp-ahx-asp-phe-NH2, BC-197, BC197
别名:Boc-asp-tyr(SO3H)-ahx-lys-trp-ahx-asp-phe-NH2, BC-197, BC197
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
InChI key:RGJCMCCPAYOLOE-KVBCWHEJSA-N

分子式:C60H81N11O17S
分子量:1260.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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

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