HIT ID: HIT212033205
Cas No: 168682-53-9
分子式: C27H35N3O6S
分子量: 529.65
常用名: Ezatiostat
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 2.4244256
IUPAC: ethyl (2S)-2-amino-4-{[(1R)-2-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoate
IUPAC: ethyl (2S)-2-amino-4-{[(1R)-2-(benzylsulfanyl)-1-{[(1R)-2-ethoxy-2-oxo-1-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoate
SMILES: CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1
SMILES: CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1
InChI key: GWEJFLVSOGNLSS-WPFOTENUSA-N
