Chem
J-GLOBAL ID：200907057406014438   Nikkaji number：J1.803.122A

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

α-[6-[6-(トリフルオロアセチルアミノ)ヘキサノイルアミノ]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： C25H41F3N5O17P3
Molecular formula furigana： C25-H41-F3-N5-O17-P3
Molecular weight： 833.537
InChI： InChI=1S/C25H41F3N5O17P3/c26-25(27,28)23(38)31-11-7-3-4-8-19(35)29-9-5-1-2-6-10-30-20(36)12-16-14-33(24(39)32-22(16)37)21-13-17(34)18(48-21)15-47-52(43,44)50-53(45,46)49-51(40,41)42/h14,17-18,21,34H,1-13,15H2,(H,29,35)(H,30,36)(H,31,38)(H,43,44)(H,45,46)(H,32,37,39)(H2,40,41,42)/t17-,18+,21+/m0/s1
InChI key： CSOPNZHOWVCWGR-WAOWUJCRSA-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)CCCCCNC(=O)C(F)(F)F)c(=O)[nH]c1=O
Systematic name  (4)：
  • 5-[[[6-[[6-(トリフルオロアセチルアミノ)ヘキサノイル]アミノ]ヘキシル]カルバモイル]メチル]-2′-デオキシウリジン5′-三りん酸
  • α-[6-[6-(トリフルオロアセチルアミノ)ヘキサノイルアミノ]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-[6-(2,2,2-トリフルオロアセトアミド)ヘキサンアミド]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-[6-(2,2,2-trifluoroacetamido)hexanamido]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 (2)：
  • 5-[[[6-[[6-(Trifluoroacetylamino)hexanoyl]amino]hexyl]carbamoyl]methyl]-2′-deoxyuridine 5′-triphosphoric acid
  • α-[6-[6-(Trifluoroacetylamino)hexanoylamino]hexylcarbamoyl]thymidine 5′-triphosphoric acid
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