L 640876
HIT212710205
sdf文件结构编辑类似物检索
HIT ID: HIT212710205
Cas No: 77527-71-0
分子式: C22H21N7O3S2
分子量: 495.58
常用名: L 640876
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: -2.2760272
IUPAC: 1-benzyl-4-{[(6R,7R)-2-carboxylato-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino}pyridin-1-ium
IUPAC: 1-benzyl-4-{[(6R,7R)-2-carboxylato-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino}pyridin-1-ium
SMILES: [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2Nc1cc[n+](Cc2ccccc2)cc1)C([O-])=O |c:13|
SMILES: [H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2Nc1cc[n+](Cc2ccccc2)cc1)C([O-])=O |c:13|
InChI key: MZRVUZHPHNYXTK-YLJYHZDGSA-N
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