p-Nitrobenzyl 3-oxo-7-phenoxyacetamidocepham-4-carboxylate
Basic information
- Standard SMILES
O=C(COc1ccccc1)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)CS[C@H]12- InChIKey
VQFGWYHMMWPTFB-GZNCHQMQSA-N- Molecular formula
- C22H19N3O8S
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- p-Nitrobenzyl 3-oxo-7-phenoxyacetamidocepham-4-carboxylate
- IUPAC
- (4-nitrophenyl)methyl (6R)-3,8-dioxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate
Names & synonyms
SCHEMBL11256506VQFGWYHMMWPTFB-GZNCHQMQSA-Np-nitrobenzyl 3-oxo-7-phenoxyacetamidocepham- 4-carboxylatep-nitrobenzyl 3-oxo-7-phenoxyacetamidocepham-4-carboxylate
Database identifiers
- PubChem CID
- 70547786
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 819
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Related reactions
4 records
Compound notes
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