U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H39F4N5O8
Molecular Weight 721.6958
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DES-(METHYLCYCLOPROPYLSULFONAMIDE)-GLECAPREVIR

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(F)(F)C4=NC5=CC=CC=C5N=C4O2)C(C)(C)C)C(=O)N[C@@]6(C[C@H]6C(F)F)C(O)=O

InChI

InChIKey=BZFLXXVDNIKPLZ-PPXQBHTISA-N
InChI=1S/C34H39F4N5O8/c1-32(2,3)25-29(45)43-16-17(14-21(43)27(44)42-33(30(46)47)15-18(33)26(35)36)50-28-24(39-19-8-4-5-9-20(19)40-28)34(37,38)12-7-13-49-22-10-6-11-23(22)51-31(48)41-25/h4-5,7-9,12,17-18,21-23,25-26H,6,10-11,13-16H2,1-3H3,(H,41,48)(H,42,44)(H,46,47)/b12-7+/t17-,18+,21+,22-,23-,25-,33-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DES-(METHYLCYCLOPROPYLSULFONAMIDE)-GLECAPREVIR
Common Name English
GLECAPREVIR METABOLITE M6
Common Name English
(1R,2R)-1-((33R,35S,91R,92R,5S,E)-5-(TERT-BUTYL)-14,14-DIFLUORO-4,7-DIOXO-2,8,10-TRIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPENTANACYCLOTETRADECAPHAN-12-ENE-35-CARBOXAMIDO)-2-(DIFLUOROMETHYL)CYCLOPROPANE-1-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
146019611
Created by admin on Sat Dec 16 14:02:33 GMT 2023 , Edited by admin on Sat Dec 16 14:02:33 GMT 2023
PRIMARY
FDA UNII
OTN2X0KR7L
Created by admin on Sat Dec 16 14:02:33 GMT 2023 , Edited by admin on Sat Dec 16 14:02:33 GMT 2023
PRIMARY