Chem
J-GLOBAL ID：200907090547123459   Nikkaji number：J2.218.706F

α-(6-Guanidinohexylcarbamoyl)thymidine 5′-triphosphoric acid

α-(6-グアニジ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： C18H33N6O15P3
Molecular formula furigana： C18-H33-N6-O15-P3
Molecular weight： 666.410
InChI： InChI=1S/C18H33N6O15P3/c19-17(20)22-6-4-2-1-3-5-21-14(26)7-11-9-24(18(28)23-16(11)27)15-8-12(25)13(37-15)10-36-41(32,33)39-42(34,35)38-40(29,30)31/h9,12-13,15,25H,1-8,10H2,(H,21,26)(H,32,33)(H,34,35)(H4,19,20,22)(H,23,27,28)(H2,29,30,31)/t12-,13+,15+/m0/s1
InChI key： QUYOONUQLIXAGS-GZBFAFLISA-N
SMILES： NC(=N)NCCCCCCNC(=O)Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name  (4)：
  • α-(6-グアニジノヘキシルカルバモイル)チミジン5′-三りん酸
  • 5-[(6-グアニジノヘキシル)カルバモイルメチル]-2′-デオキシウリジン5′-三りん酸
  • ({[({[(2R,3S,5R)-5-(5-{[(6-カルバムイミドアミドヘキシル)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)-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-(5-{[(6-carbamimidamidohexyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (2)：
  • α-(6-Guanidinohexylcarbamoyl)thymidine 5′-triphosphoric acid
  • 5-[(6-Guanidinohexyl)carbamoylmethyl]-2′-deoxyuridine 5′-triphosphoric acid
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