Thiocillin
HIT219251421
sdf文件结构编辑类似物检索
HIT ID: HIT219251421
Cas No: 4414-51-1
分子式: C18H18ClN2NaO4S2
分子量: 448.91
常用名: Thiocillin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium (2S,5R,6R)-6-[(2Z)-3-(2-chlorophenyl)-2-(methylsulfanyl)prop-2-enamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC: sodium (2S,5R,6R)-6-[(2Z)-3-(2-chlorophenyl)-2-(methylsulfanyl)prop-2-enamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES: [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(\SC)=C\c1ccccc1Cl)C([O-])=O
SMILES: [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(\SC)=C\c1ccccc1Cl)C([O-])=O
InChI key: PGFWSCYNZHTDEM-CDYNTQTLSA-M
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