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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H22F3NO3
Molecular Weight 489.4851
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Biphenyl-4-yl-(2S)-[(4'-trifluoromethyl-biphenyl-4-carbonyl)-amino]-propionic acid

SMILES

OC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChIKey=XPDNULZCMNWDGN-SANMLTNESA-N
InChI=1S/C29H22F3NO3/c30-29(31,32)25-16-14-23(15-17-25)22-10-12-24(13-11-22)27(34)33-26(28(35)36)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-17,26H,18H2,(H,33,34)(H,35,36)/t26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H22F3NO3
Molecular Weight 489.4851
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 Mon Mar 31 18:16:15 GMT 2025
Edited
by admin
on Mon Mar 31 18:16:15 GMT 2025
Record UNII
6B6C64976V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Biphenyl-4-yl-(2S)-[(4'-trifluoromethyl-biphenyl-4-carbonyl)-amino]-propionic acid
Preferred Name English
Code System Code Type Description
CAS
660826-14-2
Created by admin on Mon Mar 31 18:16:15 GMT 2025 , Edited by admin on Mon Mar 31 18:16:15 GMT 2025
PRIMARY
CAS
1083101-37-4
Created by admin on Mon Mar 31 18:16:15 GMT 2025 , Edited by admin on Mon Mar 31 18:16:15 GMT 2025
NO STRUCTURE GIVEN
PUBCHEM
10435632
Created by admin on Mon Mar 31 18:16:15 GMT 2025 , Edited by admin on Mon Mar 31 18:16:15 GMT 2025
PRIMARY
DRUG BANK
DB05131
Created by admin on Mon Mar 31 18:16:15 GMT 2025 , Edited by admin on Mon Mar 31 18:16:15 GMT 2025
PRIMARY
FDA UNII
6B6C64976V
Created by admin on Mon Mar 31 18:16:15 GMT 2025 , Edited by admin on Mon Mar 31 18:16:15 GMT 2025
PRIMARY