loading...| Preferred Name |
atazanavir sulfate |
|
| Synonyms |
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 Reyataz |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31243 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB01072 KEGG:D01276 CAS:229975-97-7 |
|
| formula |
C38H52N6O7.H2SO4 C38H54N6O11S |
|
| has part | ||
| has_exact_synonym |
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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Reyataz |
|
| id |
CHEBI:31243 |
|
| in_subset | ||
| 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 |
|
| label |
atazanavir sulfate |
|
| mass |
802.93520 |
|
| monoisotopicmass |
802.35713 |
|
| notation |
CHEBI:31243 |
|
| prefLabel |
atazanavir sulfate |
|
| 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 |
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| treeView | ||
| subClassOf |