(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-1-oxidopyrrolidin-1-ium-3-carboxylic acid

Details

Stereochemistry	EPIMERIC
Molecular Formula	C29H38N2O7
Molecular Weight	526.6212
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-1-oxidopyrrolidin-1-ium-3-carboxylic acid

Structure Search

SMILES

CCCCN(CCCC)C(=O)C[N+]1([O-])C[C@@H]([C@H]([C@@H]1C2=CC=C(OC)C=C2)C(O)=O)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=GMLBHOYNAPOXBT-FCYINIHNSA-N

InChI=1S/C29H38N2O7/c1-4-6-14-30(15-7-5-2)26(32)18-31(35)17-23(21-10-13-24-25(16-21)38-19-37-24)27(29(33)34)28(31)20-8-11-22(36-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+,31?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H38N2O7
Molecular Weight	526.6212
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:35:08 GMT 2025` Edited by `admin` on `Wed Apr 02 19:35:08 GMT 2025`
Record UNII	LK6S6CKP3X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-1-oxidopyrrolidin-1-ium-3-carboxylic acid

Preferred Name

English

Code System Code Type Description

PUBCHEM

117803155

Created by admin on Wed Apr 02 19:35:08 GMT 2025 , Edited by admin on Wed Apr 02 19:35:08 GMT 2025

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FDA UNII

LK6S6CKP3X

Created by admin on Wed Apr 02 19:35:08 GMT 2025 , Edited by admin on Wed Apr 02 19:35:08 GMT 2025

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