(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]hexanamide; trifluoroacetic acid, WKYMVM TFA
HIT218667195
sdf文件结构编辑类似物检索
HIT ID: HIT218667195
Cas No: 1313730-09-4
分子式: C43H62F3N9O9S2
分子量: 970.14
常用名: (2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]hexanamide; trifluoroacetic acid, WKYMVM TFA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]hexanamide; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
InChI key: MYVYQWVNXDVTBW-HQORXVKSSA-N
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