Fibracillin
HIT212670824
sdf文件结构编辑类似物检索
HIT ID: HIT212670824
Cas No: 51154-48-4
分子式: C26H28ClN3O6S
分子量: 546.04
常用名: Fibracillin
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 3.1999626
IUPAC: (2S,5R,6R)-6-[(2R)-2-[2-(4-chlorophenoxy)-2-methylpropanamido]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC: (2S,5R,6R)-6-[(2R)-2-[2-(4-chlorophenoxy)-2-methylpropanamido]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1)C(O)=O
SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1)C(O)=O
InChI key: BSIJLJGDLNRGBY-NXWNEQKCSA-N
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