HIT ID: HIT214435536
Cas No: 153832-38-3
分子式: C22H23N3Na2O7S
分子量: 519.48
常用名: Ertapenem (sodium salt)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: disodium (4R,5S)-3-{[(3S,5S)-5-[(3-carboxylatophenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC: disodium (4R,5S)-3-{[(3S,5S)-5-[(3-carboxylatophenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILES: [Na+].[Na+].C[C@@H](O)C1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)Nc3cccc(c3)C([O-])=O)=C(N2C1=O)C([O-])=O
SMILES: [Na+].[Na+].C[C@@H](O)C1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)Nc3cccc(c3)C([O-])=O)=C(N2C1=O)C([O-])=O
InChI key: KMVRATCHVMUJHM-YOFHLYQBSA-L
