Basic information
- Standard SMILES
CC[C@H](NC(=O)C(C)(CC)NC(=O)[C@@H](N)CC(=O)O)c1ccccc1- InChIKey
DSAALGTYXWVNME-QPKCZYJBSA-N- Molecular formula
- C18H27N3O4
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- alpha-l-Aspartyl-DL-isovaline (s)-alpha-ethylbenzylamide
- IUPAC
- (3S)-3-amino-4-[[2-methyl-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]-4-oxobutanoic acid
Names & synonyms
DSAALGTYXWVNME-QPKCZYJBSA-Nalpha-l-aspartyl-dl-isovaline (s)-alpha-ethylbenzylamide
Database identifiers
- PubChem CID
- 131720541
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Linked notes
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