(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-(carboxymethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21NO7
Molecular Weight	399.3939
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-(carboxymethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Structure Search

SMILES

COC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2CC(O)=O)C3=CC4=C(OCO4)C=C3)C(O)=O

InChI

InChIKey=INOLIQLUTKVONI-YSGRDPCXSA-N

InChI=1S/C21H21NO7/c1-27-14-5-2-12(3-6-14)20-19(21(25)26)15(9-22(20)10-18(23)24)13-4-7-16-17(8-13)29-11-28-16/h2-8,15,19-20H,9-11H2,1H3,(H,23,24)(H,25,26)/t15-,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H21NO7
Molecular Weight	399.3939
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:45:01 GMT 2025` Edited by `admin` on `Wed Apr 02 19:45:01 GMT 2025`
Record UNII	8D8HQ5MT6Q
Record Status	`Validated (UNII)`
Record Version

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Language

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-(carboxymethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Preferred Name

English

Code System Code Type Description

FDA UNII

8D8HQ5MT6Q

Created by admin on Wed Apr 02 19:45:01 GMT 2025 , Edited by admin on Wed Apr 02 19:45:01 GMT 2025

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PUBCHEM

57614587

Created by admin on Wed Apr 02 19:45:01 GMT 2025 , Edited by admin on Wed Apr 02 19:45:01 GMT 2025

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