(4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-acetamidobutanoic acid, Ac-ESMD-CHO
HIT218639247
sdf文件结构编辑类似物检索
HIT ID: HIT218639247
Cas No: 191338-87-1
分子式: C19H30N4O10S
分子量: 506.53
常用名: (4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-acetamidobutanoic acid, Ac-ESMD-CHO
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-4-acetamidobutanoic acid
SMILES: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O
InChI key: TVTYMGFOGZRIHG-XUXIUFHCSA-N
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