X92/PRD_002076

RAMIPRILAT

Created:	2010-03-14
Last modified:	2025-03-05

X92/PRD_002076 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2X92.

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	5
Bond Count	58
Aromatic Bond Count	6

2D diagram of X92

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Chemical Component Summary
Name	RAMIPRILAT
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{a}~{S},6~{a}~{S})-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-cyclopenta[b]pyrrole-2-carboxylic acid
Formula	C₂₁ H₂₈ N₂ O₅
Molecular Weight	388.457
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C(=O)N1C2CCCC2CC1C(=O)O)NC(CCc3ccccc3)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O
InChI	InChI	1.06	InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1
InChIKey	InChI	1.06	KEDYTOTWMPBSLG-HILJTLORSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB14208 ?
Name	Ramiprilat
Groups	experimental
Description	The active metabolite of the prodrug [Ramipril].
Synonyms	Ramiprilate Ramipril diacid Ramiprilat Ramiprilatum
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	87269-97-4

Related Resource References

Resource Name	Reference
PubChem	5464096
ChEMBL	CHEMBL1201365
ChEBI	CHEBI:77363

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.