Basic information
- Standard SMILES
O=CN[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O- InChIKey
MTQBJQWJDGTPIL-QWRGUYRKSA-N- Molecular formula
- C14H16N2O6
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.10083623
Names & identifiers
- Preferred name
- N-formyl-L-beta-aspartyl-L-phenylalanine
- IUPAC
- (2S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-2-formamido-4-oxobutanoic acid
Names & synonyms
SCHEMBL6833488MTQBJQWJDGTPIL-QWRGUYRKSA-NN-formyl-L-beta-aspartyl-L-phenylalanineN-formyl-beta- L-aspartyl-L-phenylalanine
Database identifiers
- PubChem CID
- 13922706
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Related reactions
3 records
Compound notes
Loading…