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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27FN2O3
Molecular Weight 362.4384
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-L-valine

SMILES

CC(C)(C)[C@H](NC(=O)C1=CN(CCCCCF)C2=C1C=CC=C2)C(O)=O

InChI

InChIKey=VZDMQSRBNZTURL-QGZVFWFLSA-N
InChI=1S/C20H27FN2O3/c1-20(2,3)17(19(25)26)22-18(24)15-13-23(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H,22,24)(H,25,26)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H27FN2O3
Molecular Weight 362.4384
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 13:05:21 GMT 2025
Edited
by admin
on Wed Apr 02 13:05:21 GMT 2025
Record UNII
LYE29GPK63
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5F-MDMB-PICA ACID METABOLITE
Preferred Name English
N-[[1-(5-Fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-L-valine
Common Name English
L-Valine, N-[[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl]-3-methyl-
Common Name English
(S)-2-(1-(5-Fluoropentyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
LYE29GPK63
Created by admin on Wed Apr 02 13:05:21 GMT 2025 , Edited by admin on Wed Apr 02 13:05:21 GMT 2025
PRIMARY
PUBCHEM
137699950
Created by admin on Wed Apr 02 13:05:21 GMT 2025 , Edited by admin on Wed Apr 02 13:05:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID901342218
Created by admin on Wed Apr 02 13:05:21 GMT 2025 , Edited by admin on Wed Apr 02 13:05:21 GMT 2025
PRIMARY
CAS
2569223-22-7
Created by admin on Wed Apr 02 13:05:21 GMT 2025 , Edited by admin on Wed Apr 02 13:05:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE