5-[2-[3-[[(2S)-4-[[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(hydroxy-oxido-phosphoryl)oxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxo-pentanoate

More details:

• Systematic name

  5-[2-[3-[[(2S)-4-[[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(hydroxy-oxido-phosphoryl)oxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxo-pentanoate

• SMILES

  CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)[O-])[C@@H](C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)[O-])O)O

• Std. InChi

  InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-4

• Std. InChIKey

  CABVTRNMFUVUDM-UHFFFAOYSA-J

• Cite this record

  CSID:21233021, http://www.chemspider.com/Chemical-Structure.21233021.html (accessed 03:22, Apr 20, 2024)