Trandolapril
4974
Reference
Trandolapril Structure
Systematic / IUPAC Name: (2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid
ID: Reference4974
Other Names:
Gopten;
Indolapril;
Mavik (TN);
Odric;
Odrik
; more
Formula: C24H34N2O5
Class: Therapeutics/Prescription Drugs
Spectral Data
Trandolapril mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos |
| No. of Spectral Trees | 1 |
| No. of Spectra | 828 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/6/2016 5:41:41 AM |
Identificators
| InChI | InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1 |
| InChI Key | VXFJYXUZANRPDJ-WTNASJBWSA-N |
| Canonical SMILES | CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O |
| CAS | 87679376 |
| Splash | |
| Other Names |
Gopten; Indolapril; Mavik (TN); Odric; Odrik; Preran; Trandolaprilum; Udrik; (2S,3aR,7aS)-1-{[(S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}octahydro-1H-indole-2-carboxylic acid ; (2S,3aR,7aS)-1-{(S)-N-[(S)-1-Carboxy-3-phenylpropyl]alanyl}hexahydro-2-indolinecarboxylic acid, 1-ethyl ester ; (2S,3aR,7aS)-1-(N-{(1S)-1-[(Ethyloxy)carbonyl]-3-phenylpropyl}-L-alanyl)octahydro-1H-indole-2-carboxylic acid ; (2S,3ar,7as)-1-((2S)-2-{[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino}-1-oxopropyl)octahydro-1H-indole-2-carboxylic acid ; (2S,3aR,7aS)-1-((2S)-2-{[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino}propanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid ; (2S,3aR,7aS)-1-((2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid ; (2S,3aR,7aS)-1-((2S)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl)-octahydro-1H-indole-2-carboxylic acid ; 1H-Indole-2-carboxylic acid, 1-((2S)-2-{[1-(ethoxycarbonyl)-3-phenylpropyl]amino}-1-oxopropyl)octahydro, (2S,3aR,7aS)- ; 1H-Indole-2-carboxylic acid, octahydro-1-(2-{[1-(ethoxycarbonyl)-3-phenylpropyl]amino}-1-oxopropyl), (2S-{1[R*(R*)],2-α,3a-α,7a-β})- |
In Other Databases
| ChEMBL | CHEMBL1519 |
| DrugBank | DB00519 |
| ChemIDPlus | 087679376 |
| KEGG | D00383 |
| ChemSpider | 4588590 |
| HMDb | HMDB14660 |
| PubChem | 5484727 |
| Wikipedia | Trandolapril |