(S)-Benzyl 1-((S)-2-(((R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylate
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Basic information
- CAS
139492-22-1- Standard SMILES
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1- InChIKey
MZFVAAUZTGRTKL-ZTCOLXNVSA-N- Molecular formula
- C27H34N2O5
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.24677219
Names & identifiers
- Preferred name
- (S)-Benzyl 1-((S)-2-(((R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylate
- IUPAC
- benzyl (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate
- English name
- MZFVAAUZTGRTKL-ZTCOLXNVSA-N
- Molecular formula
- C27H34N2O5
- Molecular weight
- 466.56926
Names & synonyms
139492-22-1(S)-Benzyl 1-((S)-2-(((R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylatebenzyl (2S)-1-[(2S)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate(R)-1-[N-[1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanyl]-L-proline Phenylmethyl Ester(R,S,S)-Enalapril 2'-Carboxybenzyl EsterMZFVAAUZTGRTKL-ZTCOLXNVSA-N
Database identifiers
- CAS
139492-22-1- PubChem CID
- 121230740
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- solubility
- soluble in Chloroform, Methanol
- form
- Oil
- color
- Light Orange
Chemistry & industry
Applications
Uses(R)-1-[N-[1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanyl]-L-proline Phenylmethyl Ester is an intermediate in the synthesis of Enalaprilat (E555375) a metabolite of Enalapril (E555245).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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