Chem
J-GLOBAL ID：200907074219019150   Nikkaji number：J2.625.695J

Odanacatib

オダナカチブ
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： C25H27F4N3O3S
Molecular formula furigana： C25-H27-F4-N3-O3-S
Molecular weight： 525.560
InChI： InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
InChI key： FWIVDMJALNEADT-SFTDATJTSA-N
SMILES： CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C)C(F)(F)F)C(=O)NC1(CC1)C#N
Systematic name  (5)：
  • (2S)-N-(1-シアノシクロプロピル)-2-[[(S)-1-[4′-(メチルスルホニル)-1,1′-ビフェニル-4-イル]-2,2,2-トリフルオロエチル]アミノ]-4-フルオロ-4-メチルペンタンアミド
  • (2S)-N-(1-シアノシクロプロピル)-2-[[(1S)-1-[4′-(メチルスルホニル)-4-ビフェニリル]-2,2,2-トリフルオロエチル]アミノ]-4-フルオロ-4-メチルペンタンアミド
  • (2S)-4-フルオロ-2-[[(1S)-2,2,2-トリフルオロ-1-(4′-メチルスルホニル-4-ビフェニリル)エチル]アミノ]-N-(1-シアノシクロプロピル)-4-メチルペンタンアミド
  • (2S)-N-(1-シアノシクロプロピル)-4-フルオロ-4-メチル-2-{[(1S)-2,2,2-トリフルオロ-1-{4'-メタンスルホニル-[1,1'-ビフェニル]-4-イル}エチル]アミノ}ペンタンアミド
  • (2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4'-methanesulfonyl-[1,1'-biphenyl]-4-yl}ethyl]amino}pentanamide
Other name (5)：
  • (2S)-N-(1-Cyanocyclopropyl)-2-[[(S)-1-[4′-(methylsulfonyl)-1,1′-biphenyl-4-yl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
  • (2S)-N-(1-Cyanocyclopropyl)-2-[[(1S)-1-[4′-(methylsulfonyl)-4-biphenylyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
  • オダナカチブ
  • Odanacatib
  • (2S)-4-Fluoro-2-[[(1S)-2,2,2-trifluoro-1-(4′-methylsulfonyl-4-biphenylyl)ethyl]amino]-N-(1-cyanocyclopropyl)-4-methylpentanamide
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