Chem
J-GLOBAL ID：200907053476899679   Nikkaji number：J1.803.119A

α-[6-[3-(1H-Imidazole-4-yl)acryloylamino]hexylcarbamoyl]thymidine 5′-triphosphoric acid

α-[6-[3-(1H-イミダゾール-4-イル)アクリロイルアミノ]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： C23H35N6O16P3
Molecular formula furigana： C23-H35-N6-O16-P3
Molecular weight： 744.480
InChI： InChI=1S/C23H35N6O16P3/c30-17-10-21(43-18(17)13-42-47(38,39)45-48(40,41)44-46(35,36)37)29-12-15(22(33)28-23(29)34)9-20(32)26-8-4-2-1-3-7-25-19(31)6-5-16-11-24-14-27-16/h5-6,11-12,14,17-18,21,30H,1-4,7-10,13H2,(H,24,27)(H,25,31)(H,26,32)(H,38,39)(H,40,41)(H,28,33,34)(H2,35,36,37)/t17-,18+,21+/m0/s1
InChI key： HZRZDIQJRLAGDG-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)C=Cc2c[nH]cn2)c(=O)[nH]c1=O
Systematic name  (4)：
  • 5-[[[6-[[3-(1H-イミダゾール-4-イル)プロペノイル]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-[3-(1H-イミダゾール-4-イル)アクリロイルアミノ]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-[3-(1H-イミダゾール-4-イル)プロパ-2-エンアミド]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-[3-(1H-imidazol-4-yl)prop-2-enamido]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-[[3-(1H-Imidazole-4-yl)propenoyl]amino]hexyl]carbamoyl]methyl]-2′-deoxyuridine 5′-triphosphoric acid
  • α-[6-[3-(1H-Imidazole-4-yl)acryloylamino]hexylcarbamoyl]thymidine 5′-triphosphoric acid
Thsaurus map：
Thesaurus Map

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