1-[2-(R)-Amino-3-(4-methoxyphenyl)-propionyl]-pyrrolidin-2-(S)-carboxylic acid benzyl ester hydrochloride
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Basic information
- Standard SMILES
COc1ccc(C[C@@H](N)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1.Cl- InChIKey
LSYRNODSHDKNPM-FDOHDBATSA-N- Molecular formula
- C22H27ClN2O4
- Average molar mass
- 418.9 g/mol
Names & identifiers
- Preferred name
- 1-[2-(R)-Amino-3-(4-methoxyphenyl)-propionyl]-pyrrolidin-2-(S)-carboxylic acid benzyl ester hydrochloride
- IUPAC
- benzyl (2S)-1-[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]pyrrolidine-2-carboxylate;hydrochloride
Names & synonyms
SCHEMBL6436808LSYRNODSHDKNPM-FDOHDBATSA-N1-[2-(R)-Amino-3-(4-methoxyphenyl)-propionyl]-pyrrolidin-2-(S)-carboxylic acid benzyl ester hydrochloride1-[2-(R)-Amino-3-(4-methoxyphenyl)-propionyl]-pyrrolidine-2-(S)-carboxylic acid benzyl ester hydrochloride
Database identifiers
- PubChem CID
- 69780592
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 513
Related reactions
4 records
Compound notes
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