7-HYDROXYETHYL-GLECAPREVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H46F4N6O10S
Molecular Weight	854.865
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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(F)(F)C4=NC5=CC=CC=C5N=C4O2)C(C)(C)CO)C(=O)N[C@@]6(C[C@H]6C(F)F)C(=O)NS(=O)(=O)C7(C)CC7

InChI

InChIKey=YAPVNFGBAZESJS-LLNHLSIDSA-N

InChI=1S/C38H46F4N6O10S/c1-35(2,19-49)28-32(51)48-18-20(16-24(48)30(50)46-37(17-21(37)29(39)40)33(52)47-59(54,55)36(3)13-14-36)57-31-27(43-22-8-4-5-9-23(22)44-31)38(41,42)12-7-15-56-25-10-6-11-26(25)58-34(53)45-28/h4-5,7-9,12,20-21,24-26,28-29,49H,6,10-11,13-19H2,1-3H3,(H,45,53)(H,46,50)(H,47,52)/b12-7+/t20-,21+,24+,25-,26-,28-,37-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

7-HYDROXYETHYL-GLECAPREVIR

Common Name

English

GLECAPREVIR METABOLITE M2

Common Name

English

(33R,35S,91R,92R,5S,E)-N-((1R,2R)-2-(DIFLUOROMETHYL)-1-(((1-METHYLCYCLOPROPYL)SULFONYL)CARBAMOYL)CYCLOPROPYL)-14,14-DIFLUORO-5-(1-HYDROXY-2-METHYLPROPAN-2-YL)-4,7-DIOXO-2,8,10-TRIOXA-6-AZA-1(2,3)-QUINOXALINA-3(3,1)-PYRROLIDINA-9(1,2)-CYCLOPENTANACYCLOTET

Systematic Name

English

Code System Code Type Description

PUBCHEM

133083021

Created by admin on Sat Dec 16 14:18:23 GMT 2023 , Edited by admin on Sat Dec 16 14:18:23 GMT 2023

PRIMARY

FDA UNII

BN8ZE9R62R

Created by admin on Sat Dec 16 14:18:23 GMT 2023 , Edited by admin on Sat Dec 16 14:18:23 GMT 2023

PRIMARY

PARENT (METABOLITE)