(2S,3S,4S,5R,6S)-6-(2-(((3R,4R)-6-((5,6-DIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHOXY)-4-HYDROXY-CHROMAN-3-YL)METHYL)-4-(TRIFLUOROMETHYLSULFONYLAMINO)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H27F5N2O12S2
Molecular Weight	778.674
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(2-(((3R,4R)-6-((5,6-DIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHOXY)-4-HYDROXY-CHROMAN-3-YL)METHYL)-4-(TRIFLUOROMETHYLSULFONYLAMINO)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(C[C@@H]3COC4=C(C=C(OCC5=NC6=CC(F)=C(F)C=C6S5)C=C4)[C@@H]3O)C=C(NS(=O)(=O)C(F)(F)F)C=C2)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=TZNPNXSLUUOCMW-LIMRMSNTSA-N

InChI=1S/C31H27F5N2O12S2/c32-17-8-19-22(9-18(17)33)51-23(37-19)11-47-15-2-4-21-16(7-15)24(39)13(10-48-21)5-12-6-14(38-52(45,46)31(34,35)36)1-3-20(12)49-30-27(42)25(40)26(41)28(50-30)29(43)44/h1-4,6-9,13,24-28,30,38-42H,5,10-11H2,(H,43,44)/t13-,24-,25+,26+,27-,28+,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(2-(((3R,4R)-6-((5,6-DIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHOXY)-4-HYDROXY-CHROMAN-3-YL)METHYL)-4-(TRIFLUOROMETHYLSULFONYLAMINO)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596903

Created by admin on Sat Dec 16 17:24:29 GMT 2023 , Edited by admin on Sat Dec 16 17:24:29 GMT 2023

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FDA UNII

7SW4986TBQ

Created by admin on Sat Dec 16 17:24:29 GMT 2023 , Edited by admin on Sat Dec 16 17:24:29 GMT 2023

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PARENT (METABOLITE)