loading...| Preferred Name | nelfinavir | |
| Synonyms |
nelfinavir (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide |
|
| Definitions |
An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7496 |
|
| alternative term |
nelfinavir (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:24596143 PMID:23109184 Reaxys:7419619 PDBeChem:1UN CAS:159989-64-7 PMID:23647753 PMID:24498124 PMID:23916134 PMID:23386514 PMID:23454896 PMID:24194293 HMDB:HMDB0014365 Wikipedia:Nelfinavir PMID:24719428 PMID:24574416 PMID:24418752 PMID:24483157 Drug_Central:1893 LINCS:LSM-5819 PMID:23872785 KEGG:C07257 KEGG:D08259 DrugBank:DB00220 |
|
| definition |
An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties. |
|
| formula |
C32H45N3O4S |
|
| has_exact_synonym |
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
nelfinavir |
|
| id |
CHEBI:7496 |
|
| in_subset | ||
| inchi |
InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1 |
|
| inchikey |
QAGYKUNXZHXKMR-HKWSIXNMSA-N |
|
| is_conjugate_base_of | ||
| label |
nelfinavir |
|
| mass |
567.78200 |
|
| monoisotopicmass |
567.31308 |
|
| notation |
CHEBI:7496 |
|
| prefLabel |
nelfinavir |
|
| RO_0000087 | ||
| smiles |
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_35681 http://purl.obolibrary.org/obo/CHEBI_22702 http://purl.obolibrary.org/obo/CHEBI_35683 |