CHEBI:31243 - atazanavir sulfate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name atazanavir sulfate ChEBI ID CHEBI:31243 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB3547456, eMolecules:36516787, Selleckchem:Atazanavir Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C38H52N6O7.H2SO4 C38H54N6O11S Net Charge 0 Average Mass 802.93520 Monoisotopic Mass 802.35713 InChI InChI=1S/C38H52N6O7.H2O4S/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;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1 InChIKey DQSGVVGOPRWTKI-QVFAWCHISA-N SMILES [H+].[H+].[O-]S([O-])(=O)=O.COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C ChEBI Ontology Outgoing atazanavir sulfate (CHEBI:31243) has part atazanavir (CHEBI:37924) atazanavir sulfate (CHEBI:31243) is a organic sulfate salt (CHEBI:51337) 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 sulfate Brand Names Sources Latazanavir DrugBank Reyataz DrugBank Zrivada DrugBank Manual Xrefs Databases D01276 KEGG DRUG DB01072 DrugBank View more database links Registry Number Type Source 229975-97-7 CAS Registry Number ChemIDplus Last Modified 09 January 2009