A-1039710 GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H33N3O13S
Molecular Weight	699.682
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C=C(C=C1C2=CC3=CC=C(NS(C)(=O)=O)C=C3C=C2)N4C=CC(=O)NC4=O)C(C)(C)C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=WXLZPCIVNDRUJX-ZGQSFZIASA-N

InChI=1S/C32H33N3O13S/c1-32(2,30(42)48-29-25(39)23(37)24(38)27(47-29)28(40)41)21-14-19(35-10-9-22(36)33-31(35)43)13-20(26(21)46-3)17-6-5-16-12-18(34-49(4,44)45)8-7-15(16)11-17/h5-14,23-25,27,29,34,37-39H,1-4H3,(H,40,41)(H,33,36,43)/t23-,24-,25+,27-,29-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

A-1039710 GLUCURONIDE

Common Name

English

(2S,3S,4S,5R)-6-(2-(5-(2,4-DIOXOPYRIMIDIN-1-YL)-3-(6-(METHANESULFONAMIDO)-2-NAPHTHYL)-2-METHOXY-PHENYL)-2-METHYL-PROPANOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

DASABUVIR METABOLITE M6

Common Name

English

Code System Code Type Description

FDA UNII

5A40TDJ3P0

Created by admin on Sat Dec 16 16:36:00 GMT 2023 , Edited by admin on Sat Dec 16 16:36:00 GMT 2023

PRIMARY

PUBCHEM

138455043