HIT ID: HIT212090229
Cas No: 96036-02-1
分子式: C32H35N5O11S
分子量: 697.72
常用名: Protected meropenem
氢键受体数 (HBA): 9
氢键供体数 (HBD): 1
LogP: 2.0559444
IUPAC: (4-nitrophenyl)methyl 3-{[5-(dimethylcarbamoyl)-1-{[(4-nitrophenyl)methoxy]carbonyl}pyrrolidin-3-yl]sulfanyl}-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC: (4-nitrophenyl)methyl 3-{[5-(dimethylcarbamoyl)-1-{[(4-nitrophenyl)methoxy]carbonyl}pyrrolidin-3-yl]sulfanyl}-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILES: CC(O)C1C2C(C)C(SC3CC(N(C3)C(=O)OCc3ccc(cc3)[N+]([O-])=O)C(=O)N(C)C)=C(N2C1=O)C(=O)OCc1ccc(cc1)[N+]([O-])=O
SMILES: CC(O)C1C2C(C)C(SC3CC(N(C3)C(=O)OCc3ccc(cc3)[N+]([O-])=O)C(=O)N(C)C)=C(N2C1=O)C(=O)OCc1ccc(cc1)[N+]([O-])=O
InChI key: PJGGEFUAFDAJJT-UHFFFAOYSA-N
