Chem
J-GLOBAL ID：200907003156906734   Nikkaji number：J1.612.778G

α-[6-(Trifluoroacetylamino)hexylcarbamoyl]thymidine 5′-triphosphoric acid

α-[6-(トリフルオロアセチルアミノ)ヘキシルカルバモイル]チミジン5′-三りん酸
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： C19H30F3N4O16P3
Molecular formula furigana： C19-H30-F3-N4-O16-P3
Molecular weight： 720.377
InChI： InChI=1S/C19H30F3N4O16P3/c20-19(21,22)17(30)24-6-4-2-1-3-5-23-14(28)7-11-9-26(18(31)25-16(11)29)15-8-12(27)13(40-15)10-39-44(35,36)42-45(37,38)41-43(32,33)34/h9,12-13,15,27H,1-8,10H2,(H,23,28)(H,24,30)(H,35,36)(H,37,38)(H,25,29,31)(H2,32,33,34)/t12-,13+,15+/m0/s1
InChI key： MVJQRDOGQVMNDK-GZBFAFLISA-N
SMILES： O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1cc(CC(=O)NCCCCCCNC(=O)C(F)(F)F)c(=O)[nH]c1=O
Systematic name  (5)：
  • α-[[6-(トリフルオロアセチルアミノ)ヘキシルアミノ]カルボニル]チミジン5′-三りん酸
  • α-[[6-(トリフルオロアセチルアミノ)ヘキシル]カルバモイル]チミジン5′-三りん酸
  • α-[6-(トリフルオロアセチルアミノ)ヘキシルカルバモイル]チミジン5′-三りん酸
  • ({[({[(2R,3S,5R)-5-[2,4-ジオキソ-5-({[6-(2,2,2-トリフルオロアセトアミド)ヘキシル]カルバモイル}メチル)-1,2,3,4-テトラヒドロピリミジン-1-イル]-3-ヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,5R)-5-[2,4-dioxo-5-({[6-(2,2,2-trifluoroacetamido)hexyl]carbamoyl}methyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (3)：
  • α-[[6-(Trifluoroacetylamino)hexylamino]carbonyl]thymidine 5′-triphosphoric acid
  • α-[[6-(Trifluoroacetylamino)hexyl]carbamoyl]thymidine 5′-triphosphoric acid
  • α-[6-(Trifluoroacetylamino)hexylcarbamoyl]thymidine 5′-triphosphoric acid
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