Chem
J-GLOBAL ID：201507006960455040   Nikkaji number：J3.354.305K

α-(2H5)Ethyl-2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]-N-[2-[[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazole-4-yl)pentanoyl]amino]ethyl]cinnamamide

α-(2H5)エチル-2-ヒドロキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]-N-[2-[[5-(2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル)ペンタノイル]アミノ]エチル]シンナムアミド
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： C25H26[2H]5F3N6O4S
Molecular formula furigana： C25-H31-F3-N6-O4-S
Molecular weight： 573.650
InChI： InChI=1S/C25H31F3N6O4S/c1-2-14(11-15-7-8-16(12-18(15)35)24(33-34-24)25(26,27)28)22(37)30-10-9-29-20(36)6-4-3-5-19-21-17(13-39-19)31-23(38)32-21/h7-8,11-12,17,19,21,35H,2-6,9-10,13H2,1H3,(H,29,36)(H,30,37)(H2,31,32,38)/b14-11+/i1D3,2D2
InChI key： KGAGAFWDJCLZOK-WUHGBMIOSA-N
SMILES： C([2H])([2H])([2H])C([2H])([2H])/C(=C\c1ccc(cc1O)C1(N=N1)C(F)(F)F)/C(=O)NCCNC(=O)CCCCC1SCC2NC(=O)NC12
Systematic name  (3)：
  • α-(2H5)エチル-2-ヒドロキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]-N-[2-[[5-(2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル)ペンタノイル]アミノ]エチル]シンナムアミド
  • N-{2-[(2E)-2-({2-ヒドロキシ-4-[3-(トリフルオロメチル)-3H-ジアジリン-3-イル]フェニル}メチリデン)(3,3,4,4,4-2H5)ブタンアミド]エチル}-5-{2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル}ペンタンアミド
  • N-{2-[(2E)-2-({2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methylidene)(3,3,4,4,4-2H5)butanamido]ethyl}-5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanamide
Other name (1)：
  • α-(2H5)Ethyl-2-hydroxy-4-[3-(trifluoromethyl)-3H-diazirine-3-yl]-N-[2-[[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazole-4-yl)pentanoyl]amino]ethyl]cinnamamide
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