Chem
J-GLOBAL ID：200907045006992718   Nikkaji number：J825.315C

Palinavir

パリナビル
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： C40H50N6O5
Molecular formula furigana： C40-H50-N6-O5
Molecular weight： 694.877
InChI： InChI=1S/C40H50N6O5/c1-26(2)37(45-38(48)33-15-14-30-12-8-9-13-32(30)43-33)40(50)44-34(22-28-10-6-5-7-11-28)36(47)24-46-21-18-31(23-35(46)39(49)42-27(3)4)51-25-29-16-19-41-20-17-29/h5-17,19-20,26-27,31,34-37,47H,18,21-25H2,1-4H3,(H,42,49)(H,44,50)(H,45,48)/t31-,34+,35+,36-,37+/m1/s1
InChI key： DWIROAHLYMPPPF-SZNOJMITSA-N
SMILES： CC(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)OCc1ccncc1
Systematic name  (3)：
  • N-[(S)-1-[[[(1S,2R)-3-[(2S,4R)-2-[(イソプロピルアミノ)カルボニル]-4-(4-ピリジニルメトキシ)-1-ピペリジニル]-2-ヒドロキシ-1-ベンジルプロピル]アミノ]カルボニル]-2-メチルプロピル]-2-キノリンカルボアミド
  • (2S,4R)-1-[(2R,3S)-2-ヒドロキシ-3-[(2S)-3-メチル-2-[(キノリン-2-イル)ホルムアミド]ブタンアミド]-4-フェニルブチル]-N-(プロパン-2-イル)-4-[(ピリジン-4-イル)メトキシ]ピペリジン-2-カルボキサミド
  • (2S,4R)-1-[(2R,3S)-2-hydroxy-3-[(2S)-3-methyl-2-[(quinolin-2-yl)formamido]butanamido]-4-phenylbutyl]-N-(propan-2-yl)-4-[(pyridin-4-yl)methoxy]piperidine-2-carboxamide
Other name (3)：
  • パリナビル
  • Palinavir
  • N-[(S)-1-[[[(1S,2R)-3-[(2S,4R)-2-[(Isopropylamino)carbonyl]-4-(4-pyridinylmethoxy)-1-piperidinyl]-2-hydroxy-1-benzylpropyl]amino]carbonyl]-2-methylpropyl]-2-quinolinecarboxamide
CAS registry number： 154612-39-2
KEGG DRUG： D03840
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM