Chem
J-GLOBAL ID：200907015344690488   Nikkaji number：J709.859F

Nelfinavir

ネルフィナビル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H45N3O4S
Molecular formula furigana： C32-H45-N3-O4-S
Molecular weight： 567.790
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
InChI key： QAGYKUNXZHXKMR-RHMILFQJSA-N
SMILES： Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2CC1C(=O)NC(C)(C)C
Systematic name  (3)：
  • (4aS)-N-(tert-ブチル)-1,2,3,4,4aβ,5,6,7,8,8aβ-デカヒドロ-2-[(2R,3R)-2-ヒドロキシ-3-(3-ヒドロキシ-2-メチルベンゾイルアミノ)-4-フェニルチオブチル]-3-イソキノリンカルボアミド
  • (4aS,8aS)-N-tert-ブチル-2-[(2R,3R)-2-ヒドロキシ-3-[(3-ヒドロキシ-2-メチルフェニル)ホルムアミド]-4-(フェニルスルファニル)ブチル]-デカヒドロイソキノリン-3-カルボキサミド
  • (4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide
Other name (4)：
  • (4aS)-N-(tert-Butyl)-1,2,3,4,4aβ,5,6,7,8,8aβ-decahydro-2-[(2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzoylamino)-4-phenylthiobutyl]-3-isoquinolinecarboxamide
  • ネルフィナビル
  • Nelfinavir
  • AG-1341
CAS registry number： 159989-64-7
KEGG DRUG： D08259
KEGG COMPOUND： C07257
Application (2)：
proteinase inhibitor ,  anti-AIDSagent
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