HIT ID: HIT105675907
Cas No: 7177-48-2
分子式: C16H25N3O7S
分子量: 403.45
常用名: Ampicillin Trihydrate
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: -1.204000000000000e+000
IUPAC: (2S,5R,6R)-6-[(2R)-2-amino-2-phenylacetamido]-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-phenylacetamido]-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)c3ccccc3)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)c3ccccc3)C(=O)N2[C@H]1C(O)=O
InChI key: RXDALBZNGVATNY-CWLIKTDRSA-N
