Chem
J-GLOBAL ID：200907063313224530   Nikkaji number：J1.803.117E

α-[6-(3-Pyridylcarbonylamino)hexylcarbamoyl]thymidine 5′-triphosphoric acid

α-[6-(3-ピリジルカルボニルアミノ)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： C23H34N5O16P3
Molecular formula furigana： C23-H34-N5-O16-P3
Molecular weight： 729.465
InChI： InChI=1S/C23H34N5O16P3/c29-17-11-20(42-18(17)14-41-46(37,38)44-47(39,40)43-45(34,35)36)28-13-16(22(32)27-23(28)33)10-19(30)25-8-3-1-2-4-9-26-21(31)15-6-5-7-24-12-15/h5-7,12-13,17-18,20,29H,1-4,8-11,14H2,(H,25,30)(H,26,31)(H,37,38)(H,39,40)(H,27,32,33)(H2,34,35,36)/t17-,18+,20+/m0/s1
InChI key： OFNCCJSXNKXJRY-NLWGTHIKSA-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)c2cccnc2)c(=O)[nH]c1=O
Systematic name  (4)：
  • 5-[[[6-(3-ピリジニルカルボニルアミノ)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-(3-ピリジルカルボニルアミノ)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-[(ピリジン-3-イル)ホルムアミド]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-[(pyridin-3-yl)formamido]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-(3-Pyridinylcarbonylamino)hexyl]carbamoyl]methyl]-2′-deoxyuridine 5′-triphosphoric acid
  • α-[6-(3-Pyridylcarbonylamino)hexylcarbamoyl]thymidine 5′-triphosphoric acid
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