Basic information
- Standard SMILES
CC(=O)O[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)O- InChIKey
SYPJVRNQVHCYLY-SKDRFNHKSA-N- Molecular formula
- C14H17NO6
- Average molar mass
- 295.29 g/mol
Names & identifiers
- Preferred name
- O-acetyl-N-benzyloxycarbonyl-L-threonine
- IUPAC
- (2S,3R)-3-acetyloxy-2-(phenylmethoxycarbonylamino)butanoic acid
Names & synonyms
SCHEMBL10420900SYPJVRNQVHCYLY-SKDRFNHKSA-NO-acetyl-N-benzyloxycarbonyl-L-threonine
Database identifiers
- PubChem CID
- 18640002
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
2 records
Compound notes
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