loading...| Preferred Name |
telaprevir |
|
| Synonyms |
(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 Incivek VX-950 VX 950 (1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68595 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Telaprevir Patent:WO2011103932 Patent:US2006281688 HMDB:HMDB0015616 PMID:21884670 Patent:WO2005025517 PMID:22889114 PMID:22806681 PMID:22222799 PMID:25017682 PMID:22345334 Patent:US2006252698 Reaxys:10511882 PMID:23016967 Patent:US2007087973 PMID:22404758 CAS:402957-28-2 PMID:22039291 Patent:US2006276407 Patent:WO2006127289 PMID:22537438 PMID:22180548 PMID:22239508 PMID:22212567 PMID:20945948 PMID:22506260 PMID:22383557 Patent:US2005197301 KEGG:D09012 PMID:22423262 Patent:US2006276405 PMID:22902721 PMID:22169996 Drug_Central:4173 PMID:22511937 PMID:22471376 PMID:22095516 PMID:22642697 PMID:21940388 PMID:22515133 PMID:22954756 PMID:22439668 |
|
| 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. |
|
| formula |
C36H53N7O6 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_63175 |
|
| has_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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Incivek VX-950 VX 950 (1S,3aR,6aS)-(2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-((1S)-1-((cyclopropylamino)oxoacetyl)butyl)octahydrocyclopenta(c)pyrrole-1-carboxamide |
|
| id |
CHEBI:68595 |
|
| in_subset | ||
| inchi |
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 |
|
| label |
telaprevir |
|
| mass |
679.84930 |
|
| monoisotopicmass |
679.40573 |
|
| notation |
CHEBI:68595 |
|
| prefLabel |
telaprevir |
|
| 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 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_25676 http://purl.obolibrary.org/obo/CHEBI_51454 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_25676 http://purl.obolibrary.org/obo/CHEBI_51454 |