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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26N2O7S
Molecular Weight 498.5502
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(((3-CARBOXYMETHOXYBENZYL)-N-((PYRIDIN-3-YL)SULFONYL)AMINO)METHYL)PHENYL)-2-METHYLPROPIONIC ACID

SMILES

CC(C)(c1ccc(cc1)CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3)C(=O)O

InChI

InChIKey=JOJLHDZTZBZWSZ-UHFFFAOYSA-N
InChI=1S/C25H26N2O7S/c1-25(2,24(30)31)20-10-8-18(9-11-20)15-27(35(32,33)22-7-4-12-26-14-22)16-19-5-3-6-21(13-19)34-17-23(28)29/h3-14H,15-17H2,1-2H3,(H,28,29)(H,30,31)

HIDE SMILES / InChI

Molecular Formula C25H26N2O7S
Molecular Weight 498.5502
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 10:16:50 UTC 2021
Edited
by admin
on Sat Jun 26 10:16:50 UTC 2021
Record UNII
QX28NXX8UG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(((3-CARBOXYMETHOXYBENZYL)-N-((PYRIDIN-3-YL)SULFONYL)AMINO)METHYL)PHENYL)-2-METHYLPROPIONIC ACID
Systematic Name English
4-((((3-(CARBOXYMETHOXY)PHENYL)METHYL)(3-PYRIDINYLSULFONYL)AMINO)METHYL)-.ALPHA.,.ALPHA.-DIMETHYLBENZENEACETIC ACID
Systematic Name English
CP-533,536 METABOLITE M3
Common Name English
BENZENEACETIC ACID, 4-((((3-(CARBOXYMETHOXY)PHENYL)METHYL)(3-PYRIDINYLSULFONYL)AMINO)METHYL)-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
QX28NXX8UG
Created by admin on Sat Jun 26 10:16:50 UTC 2021 , Edited by admin on Sat Jun 26 10:16:50 UTC 2021
PRIMARY
PUBCHEM
10174435
Created by admin on Sat Jun 26 10:16:50 UTC 2021 , Edited by admin on Sat Jun 26 10:16:50 UTC 2021
PRIMARY
CAS
574759-31-2
Created by admin on Sat Jun 26 10:16:50 UTC 2021 , Edited by admin on Sat Jun 26 10:16:50 UTC 2021
PRIMARY
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