20-DESDIFLUORO-20-OXO-GLECAPREVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H46F2N6O10S
Molecular Weight	816.868
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 20-DESDIFLUORO-20-OXO-GLECAPREVIR

Structure Search

SMILES

[H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]3([H])CCC[C@@]3([H])OC\C=C\C(=O)C4=NC5=CC=CC=C5N=C4O2)C(C)(C)C)C(=O)N[C@@]6(C[C@H]6C(F)F)C(=O)NS(=O)(=O)C7(C)CC7

InChI

InChIKey=XDZUVSDQWGCRBH-MHKLXNFKSA-N

InChI=1S/C38H46F2N6O10S/c1-36(2,3)29-33(49)46-19-20(17-24(46)31(48)44-38(18-21(38)30(39)40)34(50)45-57(52,53)37(4)14-15-37)55-32-28(41-22-9-5-6-10-23(22)42-32)25(47)11-8-16-54-26-12-7-13-27(26)56-35(51)43-29/h5-6,8-11,20-21,24,26-27,29-30H,7,12-19H2,1-4H3,(H,43,51)(H,44,48)(H,45,50)/b11-8+/t20-,21+,24+,26-,27-,29-,38-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

20-DESDIFLUORO-20-OXO-GLECAPREVIR

Common Name

English

GLECAPREVIR METABOLITE M7

Common Name

English

(33R,35S,91R,92R,5S,E)-5-(TERT-BUTYL)-N-((1R,2R)-2-(DIFLUOROMETHYL)-1-(((1-METHYLCYCLOPROPYL)SULFONYL)CARBAMOYL)CYCLOPROPYL)-4,7,14-TRIOXO-2,8,10-TRIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPENTANACYCLOTETRADECAPHAN-12-ENE-35-CARBOXAMI

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082438

Created by admin on Sat Dec 16 14:24:12 GMT 2023 , Edited by admin on Sat Dec 16 14:24:12 GMT 2023

PRIMARY

FDA UNII

JCZ3GI6CHU

Created by admin on Sat Dec 16 14:24:12 GMT 2023 , Edited by admin on Sat Dec 16 14:24:12 GMT 2023

PRIMARY

PARENT (METABOLITE)