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boceprevir
A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > peptidomimetic [CHEBI:63175] > boceprevir [CHEBI:68621]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 peptidomimetic [CHEBI:63175] (9) 
 boceprevir [CHEBI:68621] (1)
 enzyme inhibitor [CHEBI:23924] (825) 
 protease inhibitor [CHEBI:37670] (37) 
 hepatitis C protease inhibitor [CHEBI:64924] (4) 
 boceprevir [CHEBI:68621] (1)
 antimicrobial agent [CHEBI:33281] (927) 
 antiviral agent [CHEBI:22587] (216) 
 antiviral drug [CHEBI:36044] (50) 
 boceprevir [CHEBI:68621] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 amide [CHEBI:32988] (1863) 
 primary amide [CHEBI:33256] (1586) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 ureas [CHEBI:47857] (101) 
 boceprevir [CHEBI:68621] (1)
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carboxamide [CHEBI:37622] (1381) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
 organic amino compound [CHEBI:50047] (2472) 
 peptide [CHEBI:16670] (730) 
 oligopeptide [CHEBI:7755] (479) 
 tripeptide [CHEBI:47923] (92) 
 boceprevir [CHEBI:68621] (1)
ChEBI Compound Accession Identifier  [CHEBI:68621]
ChEBI Compound Description  A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.
ChEBI Compound Identification Number  68621
ChEBI InChI Value  InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1
ChEBI InChIKey Value  LHHCSNFAOIFYRV-DOVBMPENSA-N
ChEBI Compound Name  boceprevir
ChEBI SMILES Value  [H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C
ChEBI Substance ID  160645839
ChEBI URL  ChEBI:68621
ChemSpider ID  8499830
Ontomatica Chemical Accession Key (OnChAKey)  LHHCSNFAOIFYRV_DOVBMPENSA_N_000_000000
PubChem Compound ID  10324367