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ONTOLOGY REPORT - ANNOTATIONS


Term:telaprevir
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Accession:CHEBI:68595 term browser browse the term
Definition:An oligopeptide consisting of N-(pyrazin-2-ylcarbonyl)cyclohexylalanyl, 3-methylvalyl, octahydrocyclopenta[c]pyrrole-1-carboxy, and 3-amino-N-cyclopropyl-2-oxohexanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.
Synonyms:exact_synonym: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide
 related_synonym: (1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide;   Formula=C36H53N7O6;   InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1;   InChIKey=BBAWEDCPNXPBQM-GDEBMMAJSA-N;   Incivek;   SMILES=[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1;   VX 950
 xref: CAS:402957-28-2 "ChemIDplus";   CAS:402957-28-2 "KEGG DRUG";   Drug_Central:4173 "DrugCentral";   HMDB:HMDB0015616;   KEGG:D09012
 xref_mesh: MESH:C486464
 xref: PMID:20945948 "Europe PMC";   PMID:21884670 "Europe PMC";   PMID:21940388 "Europe PMC";   PMID:22039291 "Europe PMC";   PMID:22095516 "Europe PMC";   PMID:22169996 "Europe PMC";   PMID:22180548 "Europe PMC";   PMID:22212567 "Europe PMC";   PMID:22222799 "Europe PMC";   PMID:22239508 "Europe PMC";   PMID:22345334 "Europe PMC";   PMID:22383557 "Europe PMC";   PMID:22404758 "Europe PMC";   PMID:22423262 "Europe PMC";   PMID:22439668 "Europe PMC";   PMID:22471376 "Europe PMC";   PMID:22506260 "Europe PMC";   PMID:22511937 "Europe PMC";   PMID:22515133 "Europe PMC";   PMID:22537438 "Europe PMC";   PMID:22642697 "Europe PMC";   PMID:22806681 "Europe PMC";   PMID:22889114 "Europe PMC";   PMID:22902721 "Europe PMC";   PMID:22954756 "Europe PMC";   PMID:23016967 "Europe PMC";   PMID:25017682 "Europe PMC";   Patent:US2005197301;   Patent:US2006252698;   Patent:US2006276405;   Patent:US2006276407;   Patent:US2006281688;   Patent:US2007087973;   Patent:WO2005025517;   Patent:WO2006127289;   Patent:WO2011103932;   Reaxys:10511882 "Reaxys";   Wikipedia:Telaprevir


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19741
    role 19688
      biological role 19686
        biochemical role 19190
          peptidomimetic 13
            telaprevir 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19741
    subatomic particle 19737
      composite particle 19737
        hadron 19737
          baryon 19737
            nucleon 19737
              atomic nucleus 19737
                atom 19737
                  main group element atom 19622
                    p-block element atom 19622
                      carbon group element atom 19515
                        carbon atom 19508
                          organic molecular entity 19508
                            organic group 18423
                              organic divalent group 18414
                                organodiyl group 18414
                                  carbonyl group 18301
                                    carbonyl compound 18301
                                      carboxylic acid 17966
                                        carboacyl group 17073
                                          univalent carboacyl group 17073
                                            carbamoyl group 16800
                                              carboxamide 16800
                                                peptide 9320
                                                  oligopeptide 1077
                                                    telaprevir 0
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