Basic information
- Standard SMILES
CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(NC(=O)OCc2ccccc2)cc1F- InChIKey
BXUHLGIEVFAXMP-RPBOFIJWSA-N- Molecular formula
- C28H29FN2O4
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- (3R,4S)-1-Benzyl-4-(4-benzyloxycarbonylamino-2-fluoro-phenyl)-pyrrolidine-3-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl (3R,4S)-1-benzyl-4-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrrolidine-3-carboxylate
Names & synonyms
SCHEMBL2870132BXUHLGIEVFAXMP-RPBOFIJWSA-N(3R, 4S)-1-Benzyl-4-(4-benzyloxycarbonylamino-2-fluoro-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester(3R,4S)-1-Benzyl-4-(4-benzyloxycarbonylamino-2-fluoro-phenyl)-pyrrolidine-3-carboxylic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 68422745
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
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