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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21N5O2
Molecular Weight 351.4023
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[[2?-(2H-Tetrazol-5-yl)[1,1?-biphenyl]-4-yl]methyl]-D-valine

SMILES

CC(C)[C@@H](NCC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3)C(O)=O

InChI

InChIKey=NSXSCTCKWRSTHJ-QGZVFWFLSA-N
InChI=1S/C19H21N5O2/c1-12(2)17(19(25)26)20-11-13-7-9-14(10-8-13)15-5-3-4-6-16(15)18-21-23-24-22-18/h3-10,12,17,20H,11H2,1-2H3,(H,25,26)(H,21,22,23,24)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H21N5O2
Molecular Weight 351.4023
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 20:33:17 GMT 2025
Edited
by admin
on Wed Apr 02 20:33:17 GMT 2025
Record UNII
8GP6GJD757
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[[2?-(2H-Tetrazol-5-yl)[1,1?-biphenyl]-4-yl]methyl]-D-valine
Systematic Name English
(2R)-3-Methyl-2-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
Preferred Name English
D-Valine, N-[[2?-(2H-tetrazol-5-yl)[1,1?-biphenyl]-4-yl]methyl]-
Systematic Name English
3-Methyl-2-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid, (2R)-
Systematic Name English
Code System Code Type Description
CAS
1391068-02-2
Created by admin on Wed Apr 02 20:33:17 GMT 2025 , Edited by admin on Wed Apr 02 20:33:17 GMT 2025
PRIMARY
FDA UNII
8GP6GJD757
Created by admin on Wed Apr 02 20:33:17 GMT 2025 , Edited by admin on Wed Apr 02 20:33:17 GMT 2025
PRIMARY
PUBCHEM
71315539
Created by admin on Wed Apr 02 20:33:17 GMT 2025 , Edited by admin on Wed Apr 02 20:33:17 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER