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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H26FN3O5S
Molecular Weight 511.565
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-(((2S)-1-(5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)-2-PIPERIDYL)METHYLCARBAMOYL)-6-HYDROXY-PHENYL)ACETIC ACID

SMILES

CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C3=C(CC(O)=O)C(O)=CC=C3)=C(S1)C4=CC=C(F)C=C4

InChI

InChIKey=LWRGCHXTGKBZKE-SFHVURJKSA-N
InChI=1S/C26H26FN3O5S/c1-15-29-23(24(36-15)16-8-10-17(27)11-9-16)26(35)30-12-3-2-5-18(30)14-28-25(34)19-6-4-7-21(31)20(19)13-22(32)33/h4,6-11,18,31H,2-3,5,12-14H2,1H3,(H,28,34)(H,32,33)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H26FN3O5S
Molecular Weight 511.565
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 16:36:10 GMT 2023
Edited
by admin
on Sat Dec 16 16:36:10 GMT 2023
Record UNII
YX9MC54WFM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-(((2S)-1-(5-(4-FLUOROPHENYL)-2-METHYL-THIAZOLE-4-CARBONYL)-2-PIPERIDYL)METHYLCARBAMOYL)-6-HYDROXY-PHENYL)ACETIC ACID
Systematic Name English
GSK2329158
Common Name English
SB-649868 METABOLITE M25
Common Name English
Code System Code Type Description
FDA UNII
YX9MC54WFM
Created by admin on Sat Dec 16 16:36:10 GMT 2023 , Edited by admin on Sat Dec 16 16:36:10 GMT 2023
PRIMARY
PUBCHEM
118753333
Created by admin on Sat Dec 16 16:36:10 GMT 2023 , Edited by admin on Sat Dec 16 16:36:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
MAJOR
URINE
PARENT -> METABOLITE
( 10% of the administered dose)
MAJOR
FECAL