Basic information
- Standard SMILES
CC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)[C@H](C)CC)c1ccccc1- InChIKey
REPKXOTVLOLNBT-VWNJHIHFSA-N- Molecular formula
- C19H29N3O4
- Average molar mass
- 363.5 g/mol
Names & identifiers
- Preferred name
- alpha-L-aspartyl-D-isoleucine (S)-alpha-ethylbenzylamide
- IUPAC
- (3S)-3-amino-4-[[(2R,3R)-3-methyl-1-oxo-1-[[(1S)-1-phenylpropyl]amino]pentan-2-yl]amino]-4-oxobutanoic acid
Names & synonyms
REPKXOTVLOLNBT-VWNJHIHFSA-Nalpha-L-aspartyl-D-isoleucine (S)-alpha-ethylbenzylamide
Database identifiers
- PubChem CID
- 54262672
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Linked notes
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