Basic information
- Standard SMILES
COC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)OCc1ccccc1- InChIKey
WNXLGOYVFPOZEY-INIZCTEOSA-N- Molecular formula
- C18H17Cl2NO4
- Average molar mass
- 382.2 g/mol
- Monoisotopic mass
- 381.0534634
Names & identifiers
- Preferred name
- (S)-methyl 2-(benzyloxycarbonylamino)-3-(3,5-dichlorophenyl)propanoate
- IUPAC
- methyl (2S)-3-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)propanoate
Names & synonyms
SCHEMBL2978373WNXLGOYVFPOZEY-INIZCTEOSA-N(S)-methyl 2-(benzyloxycarbonylamino)-3-(3,5-dichlorophenyl)propanoate
Database identifiers
- PubChem CID
- 68464283
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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