Basic information
- Standard SMILES
CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)OCc1ccccc1- InChIKey
KKMCJYRMPUGEEC-DIMJTDRSSA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
Names & identifiers
- Preferred name
- N-(1-Ethoxycarbonyl-3-Phenylpropyl)-L-Alanine Benzylester
- IUPAC
- ethyl 2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
Names & synonyms
SCHEMBL7342910KKMCJYRMPUGEEC-DIMJTDRSSA-NN-(1-Ethoxycarbonyl-3-Phenylpropyl)-L-Alanine Benzylester
Database identifiers
- PubChem CID
- 13345971
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Compound notes
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