HIT ID: HIT212709463
Cas No: 50-59-9
分子式: C19H17N3O4S2
分子量: 415.48
常用名: Cefaloridine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: -3.0940704
IUPAC: 1-{[(6R,7R)-2-carboxylato-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium
IUPAC: 1-{[(6R,7R)-2-carboxylato-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium
SMILES: [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |c:12|
SMILES: [H][C@]12SCC(C[n+]3ccccc3)=C(N1C(=O)[C@H]2NC(=O)Cc1cccs1)C([O-])=O |c:12|
InChI key: CZTQZXZIADLWOZ-CRAIPNDOSA-N
