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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H18N2O4S
Molecular Weight 334.3918
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-2-(4-((PYRIDIN-3-YLSULFONYLAMINO)METHYL)PHENYL)PROPIONIC ACID

SMILES

CC(C)(c1ccc(cc1)CNS(=O)(=O)c2cccnc2)C(=O)O

InChI

InChIKey=SKMRHCOWINZBQG-UHFFFAOYSA-N
InChI=1S/C16H18N2O4S/c1-16(2,15(19)20)13-7-5-12(6-8-13)10-18-23(21,22)14-4-3-9-17-11-14/h3-9,11,18H,10H2,1-2H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C16H18N2O4S
Molecular Weight 334.3918
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:21:21 UTC 2021
Edited
by admin
on Sat Jun 26 03:21:21 UTC 2021
Record UNII
CF591VI6I7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-2-(4-((PYRIDIN-3-YLSULFONYLAMINO)METHYL)PHENYL)PROPIONIC ACID
Systematic Name English
.ALPHA.,.ALPHA.-DIMETHYL-4-(((3-PYRIDINYLSULFONYL)AMINO)METHYL)BENZENEACETIC ACID
Systematic Name English
CP-533,536 METABOLITE M11
Common Name English
BENZENEACETIC ACID, .ALPHA.,.ALPHA.-DIMETHYL-4-(((3-PYRIDINYLSULFONYL)AMINO)METHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10149902
Created by admin on Sat Jun 26 03:21:21 UTC 2021 , Edited by admin on Sat Jun 26 03:21:21 UTC 2021
PRIMARY
FDA UNII
CF591VI6I7
Created by admin on Sat Jun 26 03:21:21 UTC 2021 , Edited by admin on Sat Jun 26 03:21:21 UTC 2021
PRIMARY
CAS
574759-30-1
Created by admin on Sat Jun 26 03:21:21 UTC 2021 , Edited by admin on Sat Jun 26 03:21:21 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO