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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29NO4
Molecular Weight 383.4807
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-((1,1'-BIPHENYL)-4-YL)-4-((TERT-BUTOXYCARBONYL)AMINO)-2-METHYLPENTANOIC ACID, (2R,4S)-

SMILES

C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(O)=O

InChI

InChIKey=YNELJETWNMPEEH-UZLBHIALSA-N
InChI=1S/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29NO4
Molecular Weight 383.4807
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:31:23 GMT 2023
Edited
by admin
on Sat Dec 16 15:31:23 GMT 2023
Record UNII
FJ7AWX8DMF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-((1,1'-BIPHENYL)-4-YL)-4-((TERT-BUTOXYCARBONYL)AMINO)-2-METHYLPENTANOIC ACID, (2R,4S)-
Systematic Name English
(2R,4S)-5-((1,1'-BIPHENYL)-4-YL)-4-((TERT-BUTOXYCARBONYL)AMINO)-2-METHYLPENTANOIC ACID
Systematic Name English
(1,1'-BIPHENYL)-4-PENTANOIC ACID, .GAMMA.-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-.ALPHA.-METHYL-, (.ALPHA.R,.GAMMA.S)-
Systematic Name English
Code System Code Type Description
FDA UNII
FJ7AWX8DMF
Created by admin on Sat Dec 16 15:31:23 GMT 2023 , Edited by admin on Sat Dec 16 15:31:23 GMT 2023
PRIMARY
CAS
1012341-50-2
Created by admin on Sat Dec 16 15:31:23 GMT 2023 , Edited by admin on Sat Dec 16 15:31:23 GMT 2023
PRIMARY
PUBCHEM
46193546
Created by admin on Sat Dec 16 15:31:23 GMT 2023 , Edited by admin on Sat Dec 16 15:31:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID001123526
Created by admin on Sat Dec 16 15:31:23 GMT 2023 , Edited by admin on Sat Dec 16 15:31:23 GMT 2023
PRIMARY