Basic information
- Standard SMILES
CCOC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)c1ccccc1- InChIKey
PXMDEDAWAXVBIF-YQQAZPJKSA-N- Molecular formula
- C19H29N3O5
- Average molar mass
- 379.5 g/mol
Names & identifiers
- Preferred name
- alpha-L-aspartyl-D-valine (R)-alpha-ethoxymethylbenzylamide
- IUPAC
- (3S)-3-amino-4-[[(2R)-1-[[(1R)-2-ethoxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Names & synonyms
PXMDEDAWAXVBIF-YQQAZPJKSA-Nalpha-L-aspartyl-D-valine (R)-alpha-ethoxymethylbenzylamide
Database identifiers
- PubChem CID
- 54213385
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
1 records
Linked notes
Loading…