Trandolaprilat
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Also Known As: Trandolaprilat|Trandolaprilate|Trandolaprilatum|trandolapril diacid|Trandolaprilat?|Trandolaprilat [INN]|Ethyl 4-cyanobenzoate|Trandolapril impurity E|Trandolapril EP Impurity E|Trandolapril Related Compound E|Trandolaprilate [INN-French]|Trandolaprilatum [INN-Latin]|GTPL6455|TRANDOLAPRILAT [WHO-DD]|TRANDOLAPRIL DIACID [MI]|RU 44403|EX-A4862|HY-A0116|CS-O-08347|TRANDOLAPRIL IMPURITY E [EP IMPURITY]|TRANDOLAPRIL RELATED COMPOUND E [USP-RS]|679T718|(2S,3aR,7aS)-1-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid
| Molecular Formula | C22H30N2O5 |
|---|---|
| Molecular Weight | 402.21548 g/mol |
| LogP | 2.2948 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.21548 |
| Monoisotopic Mass | 402.21548 |
| Heavy Atoms | 29 |
| Complexity | 737.97797 |
Chemical Identifiers
| CAS Number | 83601-86-9 |
|---|---|
| SMILES | C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O |
Product Overview
Trandolaprilat (CAS 83601-86-9), with molecular formula C22H30N2O5 and molecular weight 402.21548 g/mol. IUPAC: (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.
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