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