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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34N2O6
Molecular Weight	482.5687
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-(butylethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid

Structure Search

SMILES

CCCCN(CC)C(=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=XOKJLPGPMYIOAH-QGDZQMKYSA-N

InChI=1S/C27H34N2O6/c1-4-6-13-28(5-2)24(30)16-29-15-21(19-9-12-22-23(14-19)35-17-34-22)25(27(31)32)26(29)18-7-10-20(33-3)11-8-18/h7-12,14,21,25-26H,4-6,13,15-17H2,1-3H3,(H,31,32)/t21-,25-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H34N2O6
Molecular Weight	482.5687
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 20:24:18 GMT 2025` Edited by `admin` on `Wed Apr 02 20:24:18 GMT 2025`
Record UNII	S9B4M6VY34
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Preferred Name

English

Code System Code Type Description

PUBCHEM

10184473

Created by admin on Wed Apr 02 20:24:18 GMT 2025 , Edited by admin on Wed Apr 02 20:24:18 GMT 2025

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FDA UNII

S9B4M6VY34

Created by admin on Wed Apr 02 20:24:18 GMT 2025 , Edited by admin on Wed Apr 02 20:24:18 GMT 2025

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CAS

1058393-35-3

Created by admin on Wed Apr 02 20:24:18 GMT 2025 , Edited by admin on Wed Apr 02 20:24:18 GMT 2025

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