Chem
J-GLOBAL ID：200907054679388048   Nikkaji number：J2.439.103E

2-[N-[(2R)-4-(3′-O-Phosphono-5′-adenylyloxyphosphonyloxy)-2-hydroxy-3,3-dimethylbutyryl]-β-alanylamino]ethanol

2-[N-[(2R)-4-(3′-O-ホスホノ-5′-アデニリルオキシホスホニルオキシ)-2-ヒドロキシ-3,3-ジメチルブチリル]-β-アラニルアミノ]エタノール
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： C21H36N7O17P3
Molecular formula furigana： C21-H36-N7-O17-P3
Molecular weight： 751.472
InChI： InChI=1S/C21H36N7O17P3/c1-21(2,16(32)19(33)24-4-3-12(30)23-5-6-29)8-42-48(39,40)45-47(37,38)41-7-11-15(44-46(34,35)36)14(31)20(43-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,29,31-32H,3-8H2,1-2H3,(H,23,30)(H,24,33)(H,37,38)(H,39,40)(H2,22,25,26)(H2,34,35,36)/t11-,14-,15-,16+,20-/m1/s1
InChI key： JHUGPYYCEXFQAL-IBOSZNHHSA-N
SMILES： CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCO
Systematic name  (3)：
  • 2-[N-[(2R)-4-(3′-O-ホスホノ-5′-アデニリルオキシホスホニルオキシ)-2-ヒドロキシ-3,3-ジメチルブチリル]-β-アラニルアミノ]エタノール
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-4-ヒドロキシ-2-({[ヒドロキシ({ヒドロキシ[(3R)-3-ヒドロキシ-3-({2-[(2-ヒドロキシエチル)カルバモイル]エチル}カルバモイル)-2,2-ジメチルプロポキシ]ホスホリル}オキシ)ホスホリル]オキシ}メチル)オキソラン-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-hydroxyethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
Other name (1)：
  • 2-[N-[(2R)-4-(3′-O-Phosphono-5′-adenylyloxyphosphonyloxy)-2-hydroxy-3,3-dimethylbutyryl]-β-alanylamino]ethanol
Thsaurus map：
Thesaurus Map

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