Chem
J-GLOBAL ID：200907046621986155   Nikkaji number：J1.803.118C

α-[6-[(1H-Imidazole-4-yl)acetylamino]hexylcarbamoyl]thymidine 5′-triphosphoric acid

α-[6-[(1H-イミダゾール-4-イル)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： C22H35N6O16P3
Molecular formula furigana： C22-H35-N6-O16-P3
Molecular weight： 732.469
InChI： InChI=1S/C22H35N6O16P3/c29-16-9-20(42-17(16)12-41-46(37,38)44-47(39,40)43-45(34,35)36)28-11-14(21(32)27-22(28)33)7-18(30)24-5-3-1-2-4-6-25-19(31)8-15-10-23-13-26-15/h10-11,13,16-17,20,29H,1-9,12H2,(H,23,26)(H,24,30)(H,25,31)(H,37,38)(H,39,40)(H,27,32,33)(H2,34,35,36)/t16-,17+,20+/m0/s1
InChI key： PWPJXOHZGGAUBJ-SQGPQFPESA-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)Cc2c[nH]cn2)c(=O)[nH]c1=O
Systematic name  (4)：
  • 5-[[[6-[(1H-イミダゾール-4-イルアセチル)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-[(1H-イミダゾール-4-イル)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
  • {[ヒドロキシ({[ヒドロキシ({[(2R,3S,5R)-3-ヒドロキシ-5-{5-[({6-[2-(1H-イミダゾール-4-イル)アセトアミド]ヘキシル}カルバモイル)メチル]-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル}オキソラン-2-イル]メトキシ})ホスホリル]オキシ})ホスホリル]オキシ}ホスホン酸
  • {[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-{5-[({6-[2-(1H-imidazol-4-yl)acetamido]hexyl}carbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
Other name (2)：
  • 5-[[[6-[(1H-Imidazole-4-ylacetyl)amino]hexyl]carbamoyl]methyl]-2′-deoxyuridine 5′-triphosphoric acid
  • α-[6-[(1H-Imidazole-4-yl)acetylamino]hexylcarbamoyl]thymidine 5′-triphosphoric acid
Thsaurus map：
Thesaurus Map

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