(S)-2-(2-{3'-[(benzoylmethylamino)methyl]biphenyl-4-yl}-1-carboxyethylamino)benzoic acid
Basic information
- Standard SMILES
O=C(CNCc1cccc(-c2ccc(C[C@H](Nc3ccccc3C(=O)O)C(=O)O)cc2)c1)c1ccccc1- InChIKey
DWBODNDAFIFGTJ-NDEPHWFRSA-N- Molecular formula
- C31H28N2O5
- Average molar mass
- 508.6 g/mol
Names & identifiers
- Preferred name
- (S)-2-(2-{3'-[(benzoylmethylamino)methyl]biphenyl-4-yl}-1-carboxyethylamino)benzoic acid
- IUPAC
- 2-[[(1S)-1-carboxy-2-[4-[3-[(phenacylamino)methyl]phenyl]phenyl]ethyl]amino]benzoic acid
Names & synonyms
SCHEMBL3439064DWBODNDAFIFGTJ-NDEPHWFRSA-N(S)-2-(2-{3'-[(benzoylmethylamino)methyl]biphenyl-4-yl}-1-carboxyethylamino)benzoic acid
Database identifiers
- PubChem CID
- 68643282
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 774
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Related reactions
1 records
Compound notes
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