X94/PRD_002048

PERINDOPRILAT

Created:	2010-03-14
Last modified:	2011-11-03

X94/PRD_002048 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2X94.

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	5
Bond Count	53
Aromatic Bond Count	0

2D diagram of X94

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Chemical Component Summary
Name	PERINDOPRILAT
Systematic Name (OpenEye OEToolkits)	(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-pentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Formula	C₁₇ H₂₈ N₂ O₅
Molecular Weight	340.415
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCC
SMILES	CACTVS	3.352	CCC[CH](N[CH](C)C(=O)N1[CH]2CCCC[CH]2C[CH]1C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.6.1	CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O
Canonical SMILES	CACTVS	3.352	CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
InChI	InChI	1.03	InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
InChIKey	InChI	1.03	ODAIHABQVKJNIY-PEDHHIEDSA-N

Drug Info: DrugBank

DrugBank ID	DB14213
Name	Perindoprilat
Groups	experimental
Description	The active metabolite of the prodrug [Perindopril].
Synonyms	Perindoprilate Perindoprilatum Perindoprilat Perindoprilato
Categories	Agents Acting on the Renin-Angiotensin System Agents causing angioedema Agents causing hyperkalemia Angiotensin-Converting Enzyme Inhibitors Antihypertensive Agents Cardiovascular Agents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Protease Inhibitors
CAS number	95153-31-4

Related Resource References

Resource Name	Reference
PubChem	72022
ChEMBL	CHEMBL1201368
ChEBI	CHEBI:132041

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.