HIT ID: HIT212718371
Cas No: 123577-73-1
分子式: C54H74N9O13P
分子量: 1088.21
常用名: Sut 8701
氢键受体数 (HBA): 11
氢键供体数 (HBD): 10
LogP: 2.53294
IUPAC: (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[(dimethylphosphoryl)oxy]phenyl}propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
IUPAC: (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[(dimethylphosphoryl)oxy]phenyl}propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
SMILES: CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(C)(C)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)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](Cc1ccc(OP(C)(C)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI key: JRVNBKJTGABELE-WGXSSYHUSA-N
