X93/PRD_002077

TRANDOLAPRILAT

X93/PRD_002077 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2X93.

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Chemical Component Summary

NameTRANDOLAPRILAT
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
FormulaC22 H30 N2 O5
Molecular Weight402.484
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O
InChIInChI=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
InChIKeyAHYHTSYNOHNUSH-HXFGRODQSA-N
CompositionPolymer Sequences: CLT-ALA-Q42
BIRD classENZYME INHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count5
Bond Count61
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB14209 
NameTrandolaprilat
Groups experimental
DescriptionThe active metabolite of the prodrug [Trandolapril].
Synonyms
  • Trandolaprilat
  • Trandolaprilate
  • Trandolapril diacid
  • Trandolaprilatum
Categories
  • Agents Acting on the Renin-Angiotensin System
  • Agents causing angioedema
  • Angiotensin-Converting Enzyme Inhibitors
  • Heterocyclic Compounds, Fused-Ring
CAS number87679-71-8

Related Resource References

Resource NameReference
PubChem 5464097
ChEMBL CHEMBL1201387
ChEBI CHEBI:141521