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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20O8S
Molecular Weight 372.39
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((.ALPHA.S)-.ALPHA.-(METHYLTHIO)BENZENEPROPANOATE)-.BETA.-D-GLUCOPYRANURONIC ACID

SMILES

CS[C@@H](CC1=CC=CC=C1)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=DTRZTOQCGUHLED-BWEHONMYSA-N
InChI=1S/C16H20O8S/c1-25-9(7-8-5-3-2-4-6-8)15(22)24-16-12(19)10(17)11(18)13(23-16)14(20)21/h2-6,9-13,16-19H,7H2,1H3,(H,20,21)/t9-,10-,11-,12+,13-,16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-((.ALPHA.S)-.ALPHA.-(METHYLTHIO)BENZENEPROPANOATE)-.BETA.-D-GLUCOPYRANURONIC ACID
Systematic Name English
OMAPATRILAT METABOLITE M4
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((.ALPHA.S)-.ALPHA.-(METHYLTHIO)BENZENEPROPANOATE)-
Systematic Name English
Code System Code Type Description
CAS
508181-78-0
Created by admin on Sat Dec 16 16:36:23 GMT 2023 , Edited by admin on Sat Dec 16 16:36:23 GMT 2023
PRIMARY
PUBCHEM
156596522
Created by admin on Sat Dec 16 16:36:23 GMT 2023 , Edited by admin on Sat Dec 16 16:36:23 GMT 2023
PRIMARY
FDA UNII
G2XVM6UB5C
Created by admin on Sat Dec 16 16:36:23 GMT 2023 , Edited by admin on Sat Dec 16 16:36:23 GMT 2023
PRIMARY