Basic information
- Standard SMILES
C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1ccccc1- InChIKey
LJALMRWWIHIPTI-KDOFPFPSSA-N- Molecular formula
- C20H21NO6
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.13688739
Names & identifiers
- Preferred name
- N-Benzyloxycarbonyl-L-threonine phenacyl ester
- IUPAC
- phenacyl (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
Names & synonyms
SCHEMBL8961844LJALMRWWIHIPTI-KDOFPFPSSA-NN-Benzyloxycarbonyl-L-threonine phenacyl ester
Database identifiers
- PubChem CID
- 54036068
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
2 records
Compound notes
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