Preferred Name

grazoprevir

Synonyms

(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide

grazoprevir

MK 5172

Definitions

An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.

ID

http://purl.obolibrary.org/obo/CHEBI_132975

charge

0

database_cross_reference

PMID:26943930

PMID:26818134

PMID:24666106

PMCID:PMC4135988

PMID:27291249

PMID:25266288

PMID:26849059

PMID:27403342

PMID:26926625

PMID:26682473

PMID:26938699

PMID:24727022

PMID:26353843

Reaxys:19999739

PMID:26933896

PMID:26423374

PMID:26532861

PMID:25467560

Drug_Central:5081

CAS:1350514-68-9

PMID:27091555

Wikipedia:Grazoprevir

PMID:27123552

PMID:27418810

PMID:25467591

definition

An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.

formula

C38H50N6O9S

has role

http://purl.obolibrary.org/obo/CHEBI_62868

http://purl.obolibrary.org/obo/CHEBI_64924

http://purl.obolibrary.org/obo/CHEBI_36044

has_exact_synonym

(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropanesulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide

has_obo_namespace

chebi_ontology

has_related_synonym

grazoprevir

MK 5172

id

CHEBI:132975

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1

inchikey

OBMNJSNZOWALQB-NCQNOWPTSA-N

label

grazoprevir

mass

766.906

monoisotopicmass

766.33600

notation

CHEBI:132975

prefLabel

grazoprevir

smiles

[C@@]1(C(NS(C2CC2)(=O)=O)=O)(C[C@H]1C=C)NC(=O)[C@H]3N4C[C@@H](C3)OC5=C(CCCCC[C@H]6[C@@H](C6)OC(N[C@H](C4=O)C(C)(C)C)=O)N=C7C(=N5)C=C(C=C7)OC

treeView

http://purl.obolibrary.org/obo/CHEBI_52898

http://purl.obolibrary.org/obo/CHEBI_35618

http://purl.obolibrary.org/obo/CHEBI_51454

http://purl.obolibrary.org/obo/CHEBI_24995

http://purl.obolibrary.org/obo/CHEBI_38771

http://purl.obolibrary.org/obo/CHEBI_23003

http://purl.obolibrary.org/obo/CHEBI_90852

subClassOf

http://purl.obolibrary.org/obo/CHEBI_52898

http://purl.obolibrary.org/obo/CHEBI_35618

http://purl.obolibrary.org/obo/CHEBI_51454

http://purl.obolibrary.org/obo/CHEBI_24995

http://purl.obolibrary.org/obo/CHEBI_38771

http://purl.obolibrary.org/obo/CHEBI_23003

http://purl.obolibrary.org/obo/CHEBI_90852

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