Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)c1ccccc1- InChIKey
JGXPBGWQUQYXDJ-IRXDYDNUSA-N- Molecular formula
- C21H22N2O6
- Average molar mass
- 398.4 g/mol
Names & identifiers
- Preferred name
- N-benzoyl-L-aspartyl-L-phenylalanine methyl ester
- IUPAC
- (3S)-3-benzamido-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Names & synonyms
SCHEMBL9138628JGXPBGWQUQYXDJ-IRXDYDNUSA-NN-benzoyl-L-aspartyl-L-phenylalanine methyl ester
Database identifiers
- PubChem CID
- 22853567
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Related reactions
2 records
Compound notes
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