Basic information
- Standard SMILES
CC(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1- InChIKey
ZISBKHLEXJRBJB-SXOMAYOGSA-N- Molecular formula
- C29H30N2O4
- Average molar mass
- 470.6 g/mol
Names & identifiers
- Preferred name
- 1-(2-(R)-Acetylamino-3-biphenyl-4yl-propionyl)-pyrrolidin-2-(S)-carboxylic acid benzyl ester
- IUPAC
- benzyl (2S)-1-[(2R)-2-acetamido-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL6436340ZISBKHLEXJRBJB-SXOMAYOGSA-N1-(2-(R)-Acetylamino-3-biphenyl-4yl-propionyl)-pyrrolidin-2-(S)-carboxylic acid benzyl ester1-(2-(R)-Acetylamino-3-biphenyl-4yl-propionyl)-pyrrolidine-2-(S)-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 69780459
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 705
Related reactions
4 records
Compound notes
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