3-Methyl-N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-L-valine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26N2O3
Molecular Weight	342.432
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Methyl-N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-L-valine

Structure Search

SMILES

CC(C)(C)[C@H](NC(=O)C1=CN(CCCC=C)C2=CC=CC=C12)C(O)=O

InChI

InChIKey=PGYFXNOMOHOPIM-QGZVFWFLSA-N

InChI=1S/C20H26N2O3/c1-5-6-9-12-22-13-15(14-10-7-8-11-16(14)22)18(23)21-17(19(24)25)20(2,3)4/h5,7-8,10-11,13,17H,1,6,9,12H2,2-4H3,(H,21,23)(H,24,25)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H26N2O3
Molecular Weight	342.432
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:05:37 GMT 2025` Edited by `admin` on `Wed Apr 02 17:05:37 GMT 2025`
Record UNII	QQ226A5NUM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methyl-N-[[1-(4-penten-1-yl)-1H-indol-3-yl]carbonyl]-L-valine

Systematic Name

English

MDMB-4en-PICA butanoic acid metabolite

Preferred Name

English

(S)-3,3-Dimethyl-2-(1-(pent-4-en-1-yl)-1H-indole-3-carboxamido)butanoic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

QQ226A5NUM

Created by admin on Wed Apr 02 17:05:37 GMT 2025 , Edited by admin on Wed Apr 02 17:05:37 GMT 2025

PRIMARY

PUBCHEM

165361536

Created by admin on Wed Apr 02 17:05:37 GMT 2025 , Edited by admin on Wed Apr 02 17:05:37 GMT 2025

PRIMARY

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MDMB-4en-PICA

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