X93/PRD_002077
TRANDOLAPRILAT
X93/PRD_002077 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 2X93.
Find entries where PRD_002077 is present
Chemical Component Summary | |
|---|---|
| Name | TRANDOLAPRILAT |
| Identifiers | (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
| Formula | C22 H30 N2 O5 |
| Molecular Weight | 402.484 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O |
| InChI | InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1 |
| InChIKey | AHYHTSYNOHNUSH-HXFGRODQSA-N |
| Composition | Polymer Sequences: CLT-ALA-Q42 |
| BIRD class | ENZYME INHIBITOR |
| Represented As | SINGLE MOLECULE |
| Compound Details | n/a |
| Description | n/a |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 59 |
| Chiral Atom Count | 5 |
| Bond Count | 61 |
| Aromatic Bond Count | 6 |
Drug Info: DrugBank
| DrugBank ID | DB14209? |
|---|---|
| Name | Trandolaprilat |
| Groups | experimental |
| Description | The active metabolite of the prodrug [Trandolapril]. |
| Synonyms |
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| Categories |
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| CAS number | 87679-71-8 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5464097 |
| ChEMBL | CHEMBL1201387 |
| ChEBI | CHEBI:141521 |
