Basic information
- Standard SMILES
O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1)C(Cc1ccccc1)C(=O)O)OCc1ccccc1- InChIKey
BQAWZIZRUAXRBY-WIXBZOCESA-N- Molecular formula
- C30H29N3O9
- Average molar mass
- 575.6 g/mol
- Monoisotopic mass
- 575.19037951
Names & identifiers
- Preferred name
- N-Carbobenzoxy-beta-Benzyl-L-Aspartyl-L-Proline p-Nitrophenyl Ester
- IUPAC
- (3S)-2-benzyl-4-[(2S)-2-(4-nitrophenoxy)carbonylpyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Names & synonyms
SCHEMBL9450485BQAWZIZRUAXRBY-WIXBZOCESA-NN-Carbobenzoxy-beta-Benzyl-L-Aspartyl-L-Proline p-Nitrophenyl Ester
Database identifiers
- PubChem CID
- 53695211
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 950
Related reactions
2 records
Compound notes
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