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CHEBI:750411 - grazoprevir anhydrous

Default Structure
ChEBI IDCHEBI:750411
ChEBI Namegrazoprevir anhydrous
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC38H50N6O9S
Net Charge0
Average Mass766.918
Monoisotopic Mass766.33600
SMILES[H][C@]12CCCCCc3nc4ccc(OC)cc4nc3O[C@@H]3C[C@@H](C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@H]4C=C)N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)O[C@]1([H])C2
InChIInChI=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
InChIKeyOBMNJSNZOWALQB-NCQNOWPTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
grazoprevir anhydrous (CHEBI:750411) has role antiviral agent (CHEBI:22587)
grazoprevir anhydrous (CHEBI:750411) is a cyclic peptide (CHEBI:23449)
Synonyms  Source
Grazoprevir anhydrousChEMBL
MK-5172 ANHYDROUSChEMBL
Brand Name  Source
Grazoprevir anhydrous component of zepatierChEMBL
Citations