(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(butylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H30N2O6
Molecular Weight	454.5155
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-[2-(butylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid

Structure Search

SMILES

CCCCNC(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(OC)C=C2)C(O)=O)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=LKUAPKYGZSSJEK-FOVJLYNBSA-N

InChI=1S/C25H30N2O6/c1-3-4-11-26-22(28)14-27-13-19(17-7-10-20-21(12-17)33-15-32-20)23(25(29)30)24(27)16-5-8-18(31-2)9-6-16/h5-10,12,19,23-24H,3-4,11,13-15H2,1-2H3,(H,26,28)(H,29,30)/t19-,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H30N2O6
Molecular Weight	454.5155
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 20:24:17 GMT 2025` Edited by `admin` on `Wed Apr 02 20:24:17 GMT 2025`
Record UNII	3M7QW42GDH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-(butylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-, (2R,3R,4S)-

Preferred Name

English

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(butylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

10115098

Created by admin on Wed Apr 02 20:24:17 GMT 2025 , Edited by admin on Wed Apr 02 20:24:17 GMT 2025

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CAS

1140617-21-5

Created by admin on Wed Apr 02 20:24:17 GMT 2025 , Edited by admin on Wed Apr 02 20:24:17 GMT 2025

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FDA UNII

3M7QW42GDH

Created by admin on Wed Apr 02 20:24:17 GMT 2025 , Edited by admin on Wed Apr 02 20:24:17 GMT 2025

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