Basic information
- Standard SMILES
C[C@@]1(COC(N)=O)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
NWFHALAGKAXVOP-NMNFXAFOSA-N- Molecular formula
- C24H24N4O9S
- Average molar mass
- 544.5 g/mol
Names & identifiers
- Preferred name
- (2R,3S,5R,6R) 2-Carbamoyloxymethyl-2-methyl-6-(2-phenoxyacetamido)penam-3-carboxylic Acid p-Nitrobenzyl Ester
- IUPAC
- (4-nitrophenyl)methyl (2S,3R,5R,6R)-3-(carbamoyloxymethyl)-3-methyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
SCHEMBL11006576NWFHALAGKAXVOP-NMNFXAFOSA-N(2R,3S,5R,6R) 2-Carbamoyloxymethyl-2-methyl-6-(2-phenoxyacetamido)penam-3-carboxylic Acid p-Nitrobenzyl Ester
Database identifiers
- PubChem CID
- 12817536
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 932
Related reactions
6 records
Compound notes
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