Basic information
- Standard SMILES
COC(=O)NC(Cc1ccc(N(C(=O)C(=O)OCc2ccccc2)c2ccccc2C(=O)OC(c2ccccc2)c2ccccc2)cc1)C(=O)O- InChIKey
IEWYQVIXCAOQPD-UHFFFAOYSA-N- Molecular formula
- C40H34N2O9
- Average molar mass
- 686.7 g/mol
Names & identifiers
- Preferred name
- 2-{Benzyloxyoxalyl-[4-(2-carboxy-2-methoxycarbonylamino-ethyl)-phenyl]-amino}-benzoic acid benzhydryl ester
- IUPAC
- 3-[4-(2-benzhydryloxycarbonyl-N-(2-oxo-2-phenylmethoxyacetyl)anilino)phenyl]-2-(methoxycarbonylamino)propanoic acid
Names & synonyms
SCHEMBL6500750IEWYQVIXCAOQPD-UHFFFAOYSA-N2-{benzyloxyoxalyl-[4-(2-carboxy-2-methoxycarbonylamino-ethyl)-phenyl]-amino}-benzoic acid benzhydryl ester
Database identifiers
- PubChem CID
- 22271950
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
2 records
Compound notes
Loading…