HIT ID: HIT212083484
Cas No: 61336-70-7
分子式: C16H25N3O8S
分子量: 419.45
常用名: Amoxicillin trihydrate
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: -2.3101761
IUPAC: (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
IUPAC: (2S,5R,6R)-6-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate
SMILES: O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O
SMILES: O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O
InChI key: MQXQVCLAUDMCEF-CWLIKTDRSA-N
