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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20FN3O3
Molecular Weight 369.3895
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-((1-((4-FLUOROPHENYL)METHYL)-1H-INDAZOL-3-YL)CARBONYL)-L-VALINE

SMILES

CC(C)[C@H](NC(=O)C1=NN(CC2=CC=C(F)C=C2)C3=CC=CC=C13)C(O)=O

InChI

InChIKey=XWTKFXNTAUXIRK-KRWDZBQOSA-N
InChI=1S/C20H20FN3O3/c1-12(2)17(20(26)27)22-19(25)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,26,27)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20FN3O3
Molecular Weight 369.3895
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 Sat Dec 16 18:28:54 UTC 2023
Edited
by admin
on Sat Dec 16 18:28:54 UTC 2023
Record UNII
CGP65B4RYW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((1-((4-FLUOROPHENYL)METHYL)-1H-INDAZOL-3-YL)CARBONYL)-L-VALINE
Systematic Name English
AB-FUBINACA ACID METABOLITE
Common Name English
AMB-FUBINACA ACID METABOLITE
Common Name English
L-VALINE, N-((1-((4-FLUOROPHENYL)METHYL)-1H-INDAZOL-3-YL)CARBONYL)-
Systematic Name English
Code System Code Type Description
CAS
1877243-60-1
Created by admin on Sat Dec 16 18:28:54 UTC 2023 , Edited by admin on Sat Dec 16 18:28:54 UTC 2023
PRIMARY
PUBCHEM
129532629
Created by admin on Sat Dec 16 18:28:54 UTC 2023 , Edited by admin on Sat Dec 16 18:28:54 UTC 2023
PRIMARY
FDA UNII
CGP65B4RYW
Created by admin on Sat Dec 16 18:28:54 UTC 2023 , Edited by admin on Sat Dec 16 18:28:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PARENT -> METABOLITE