clemizole penicillin
HIT217590337
sdf文件结构编辑类似物检索
HIT ID: HIT217590337
Cas No: 6011-39-8
分子式: C35H38ClN5O4S
分子量: 660.23
常用名: clemizole penicillin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 1-[(4-chlorophenyl)methyl]-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazole
IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 1-[(4-chlorophenyl)methyl]-2-[(pyrrolidin-1-yl)methyl]-1H-1,3-benzodiazole
SMILES: Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C(O)=O
SMILES: Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc23)cc1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C(O)=O
InChI key: GKPMEGXMKPQRTN-CBDIPHIASA-N
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