CX6Kcq2zkm
Basic information
- CAS
192118-19-7- Standard SMILES
C[C@@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
LZFZMUMEGBBDTC-SNPRPXQTSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- CX6Kcq2zkm
- IUPAC
- (2S)-1-[(2R)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
- English name
- Enalapril Impurity 13 (Enalaprilat SRS Isomer)
- Molecular formula
- C18H24N2O5
- Molecular weight
- 348.39
Names & synonyms
CX6KCQ2ZKMUNII-CX6KCQ2ZKM192118-19-7Enalaprilat dihydrate impurity C [EP IMPURITY]L-Proline, N-((1S)-1-carboxy-3-phenylpropyl)-D-alanyl-(2S)-1-((2R)-2-(((1S)-1-Carboxy-3-phenyl-propyl)amino)propanoyl)pyrrolidine-2-carboxylic acidL-Proline, N-[(1S)-1-carboxy-3-phenylpropyl]-D-alanyl-DTXSID401208770N-[(1S)-1-Carboxy-3-phenylpropyl]-D-alanyl-L-prolineElaprilImpurity13Enalaprilat SRS IsomerEnalapril Impurity 13 (Enalaprilat SRS Isomer)
Show more names
L-Proline, N-[(1S)-1-carboxy-3-phenylpropyl]-D-alanyl- (9CI)
Database identifiers
- CAS
192118-19-7- PubChem CID
- 443379
- DTXSID
DTXSID401208770- UNII
- CX6KCQ2ZKM
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Boiling point
- 601 · 601.0±55.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.10(Predicted)
- FDA UNII
- 6 KCQ2ZKM · CX6KCQ2ZKM
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…