Basic information
- Standard SMILES
CC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)[C@H](C)O)c1ccccc1- InChIKey
DAVHIMSANOIKEF-GZCFXPHUSA-N- Molecular formula
- C17H25N3O5
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- alpha-L-aspartyl-D-threonine (S)-alpha-ethylbenzylamide
- IUPAC
- (3S)-3-amino-4-[[(2R,3S)-3-hydroxy-1-oxo-1-[[(1S)-1-phenylpropyl]amino]butan-2-yl]amino]-4-oxobutanoic acid
Names & synonyms
SCHEMBL8646825DAVHIMSANOIKEF-GZCFXPHUSA-Nalpha-L-aspartyl-D-threonine (S)-alpha-ethylbenzylamide
Database identifiers
- PubChem CID
- 22882903
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
1 records
Linked notes
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