U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O2
Molecular Weight 338.4433
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4CN-AB-BUTICA

SMILES

CC(C)[C@H](CC(=O)C1=CN(CCCCC#N)C2=CC=CC=C12)C(C)=O

InChI

InChIKey=RICXYJLNHPNKAQ-SFHVURJKSA-N
InChI=1S/C21H26N2O2/c1-15(2)18(16(3)24)13-21(25)19-14-23(12-8-4-7-11-22)20-10-6-5-9-17(19)20/h5-6,9-10,14-15,18H,4,7-8,12-13H2,1-3H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H26N2O2
Molecular Weight 338.4433
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 13:05:26 GMT 2025
Edited
by admin
on Wed Apr 02 13:05:26 GMT 2025
Record UNII
BB5SW3743W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4CN-AB-BUTICA
Common Name English
AB-4CN-BICA
Preferred Name English
(S)-N-(1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-(4-CYANOBUTYL)-1H-INDOLE-3-CARBOXAMIDE
Systematic Name English
AB-4CN-BUTICA,
Common Name English
Code System Code Type Description
FDA UNII
BB5SW3743W
Created by admin on Wed Apr 02 13:05:26 GMT 2025 , Edited by admin on Wed Apr 02 13:05:26 GMT 2025
PRIMARY
PUBCHEM
162368484
Created by admin on Wed Apr 02 13:05:26 GMT 2025 , Edited by admin on Wed Apr 02 13:05:26 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY