A-192621

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H38N2O6
Molecular Weight	558.6646
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCOC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2CC(=O)NC3=C(CC)C=CC=C3CC)C4=CC=C5OCOC5=C4)C(O)=O

InChI

InChIKey=LQEHCKYYIXQEBM-FUKIBTTHSA-N

InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H38N2O6
Molecular Weight	558.6646
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Pyrrolidine-3-carboxylic acids as endothelin antagonists. 4. Side chain conformational restriction leads to ET(B) selectivity.	1999 Sep 9	10479298
Endothelin and blood pressure regulation in the female rat: studies in normal pregnancy and with nitric oxide synthase inhibition-induced hypertension.	2000	10877991
Endothelin B receptor blockade inhibits dynamics of cell interactions and communications in melanoma cell progression.	2004 Feb 15	14973117

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:14:41 GMT 2025` Edited by `admin` on `Mon Mar 31 22:14:41 GMT 2025`
Record UNII	5XE882529E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-192621

Common Name

English

A-192621-1

Preferred Name

English

3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-, (2R,3R,4S)-

Systematic Name

English

A-192621.1

Code

English

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701102953