CAS 83601-86-9 | 1H-Indole-2-carboxylicacid, 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro- | CAS Number 83601-86-9

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83601-86-9 | 1H-Indole-2-carboxylicacid, 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro-

CAS No: 83601-86-9 Catalog No: AG004TT6 MDL No:

Product Description

Catalog Number:

AG004TT6

Chemical Name:

1H-Indole-2-carboxylicacid, 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro-

CAS Number:

83601-86-9

Molecular Formula:

C22H30N2O5

Molecular Weight:

402.4840

IUPAC Name:

1-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

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)

InChI Key:

AHYHTSYNOHNUSH-UHFFFAOYSA-N

SMILES:

CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(C(=O)O)CCc1ccccc1

Properties

Complexity:

604

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

402.215g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

402.491g/mol

Monoisotopic Mass:

402.215g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Role of carboxylesterase 1 and impact of natural genetic variants on the hydrolysis of trandolapril.	Biochemical pharmacology 20090401
Quantification of trandolapril and its metabolite trandolaprilat in human plasma by liquid chromatography/tandem mass spectrometry using solid-phase extraction.	Rapid communications in mass spectrometry : RCM 20060101
Protective effects of quinaprilat and trandolaprilat, active metabolites of quinapril and trandolapril, on hemolysis induced by lysophosphatidylcholine in human erythrocytes.	Biological & pharmaceutical bulletin 20030501
Effects of an angiotensin II receptor antagonist and angiotensin-converting enzyme inhibitors on burst forming units-erythroid in chronic hemodialysis patients.	American journal of nephrology 20030101
Trandolaprilat, an angiotensin-converting enzyme inhibitor, is not excreted in bile via an ATP-dependent active transporter (cMOAT).	Hypertension research : official journal of the Japanese Society of Hypertension 20010501
Compared properties of trandolapril, enalapril, and their diacid metabolites.	Journal of cardiovascular pharmacology 19940101