9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxohexyl)thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-β-D-thr eo-pentofuranosyl]-, ion(4-)

More details:

• Systematic name

  9H-Purin-6-amine, 9-[(2xi)-5-O-[hydroxy[[hydroxy[(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[(1-oxohexyl)thio]ethyl]amino]propyl]amino]butoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-thr eo-pentofuranosyl]-, ion(4-)

• SMILES

  O=C(SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)C(O)[C@H]3OP([O-])([O-])=O)CCCCC

• Std. InChi

  InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20?,21+,22-,26-/m1/s1

• Std. InChIKey

  OEXFMSFODMQEPE-HXWSDLOWSA-J

• Cite this record

  CSID:5292354, http://www.chemspider.com/Chemical-Structure.5292354.html (accessed 21:25, Apr 29, 2024)