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CHEBI:37924 - atazanavir

ChEBI IDCHEBI:37924
ChEBI Nameatazanavir
Stars
DefinitionA heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).
Last Modified15 September 2014
DownloadsMolfile
FormulaC38H52N6O7
Net Charge0
Average Mass704.869
Monoisotopic Mass704.38975
SMILESCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
InChIKeyAXRYRYVKAWYZBR-GASGPIRDSA-N
Wikipedia
Roles Classification
Biological Roles:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
HIV protease inhibitor  An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
atazanavir (CHEBI:37924) has role antiviral drug (CHEBI:36044)
atazanavir (CHEBI:37924) has role HIV protease inhibitor (CHEBI:35660)
atazanavir (CHEBI:37924) is a carbohydrazide (CHEBI:35363)
Incoming Relation(s)
atazanavir sulfate (CHEBI:31243) has part atazanavir (CHEBI:37924)
IUPAC Name 
dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate
INNs  Source
atazanavirChemIDplus
atazanavirumChEBI
Synonym  Source
ATZChemIDplus
Brand Names  Source
LatazanavirDrugBank
ZrivadaDrugBank
Manual XrefsDatabases
D07471KEGG DRUG
DB01072DrugBank
AtazanavirWikipedia
Registry NumbersSources
Reaxys:8101951Reaxys
CAS:198904-31-3ChemIDplus
Citations