Basic information
- Standard SMILES
COc1ccc(C[C@@H](NC(C)=O)C(=O)N2CCC[C@H]2C(=O)O)cc1- InChIKey
YFUUYSQSNCVZEY-CABCVRRESA-N- Molecular formula
- C17H22N2O5
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- 1-(2-(R)-acetylamino-3-(4-methoxyphenyl)-propionyl)-pyrrolidin-2-(S)-carboxylic acid
- IUPAC
- (2S)-1-[(2R)-2-acetamido-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL6435196YFUUYSQSNCVZEY-CABCVRRESA-N1-(2-(R)-acetylamino-3-(4-methoxyphenyl)-propionyl)-pyrrolidin-2-(S)-carboxylic acid1-(2-(R)-acetylamino-3-(4-methoxyphenyl)-propionyl)-pyrrolidine-2-(S)-carboxylic acid
Database identifiers
- PubChem CID
- 22958428
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Related reactions
4 records
Compound notes
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