Chem
J-GLOBAL ID:200907050387065676   Nikkaji number:J1.191.012B

3′-[3-(6-Aminohexyl)thioureido]-3′-deoxythymidine 5′-triphosphoric acid

3′-[3-(6-アミノヘキシル)チオウレイド]-3′-デオキシチミジン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: C17H32N5O13P3S
Molecular formula furigana: C17-H32-N5-O13-P3-S
Molecular weight: 639.450
InChI: InChI=1S/C17H32N5O13P3S/c1-11-9-22(17(24)21-15(11)23)14-8-12(20-16(39)19-7-5-3-2-4-6-18)13(33-14)10-32-37(28,29)35-38(30,31)34-36(25,26)27/h9,12-14H,2-8,10,18H2,1H3,(H,28,29)(H,30,31)(H2,19,20,39)(H,21,23,24)(H2,25,26,27)/t12-,13+,14+/m0/s1
InChI key: LROUAFCIGKWFCM-BFHYXJOUSA-N
SMILES: Cc1cn([C@H]2C[C@H](NC(=S)NCCCCCCN)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name  (3):
  • 3′-[3-(6-アミノヘキシル)チオウレイド]-3′-デオキシチミジン5′-三りん酸
  • ({[({[(2S,3S,5R)-3-{[(6-アミノヘキシル)カルバモチオイル]アミノ}-5-(5-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}(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
  • ({[({[(2S,3S,5R)-3-{[(6-aminohexyl)carbamothioyl]amino}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1):
  • 3′-[3-(6-Aminohexyl)thioureido]-3′-deoxythymidine 5′-triphosphoric acid
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