Adenosine, 5'-O-[hydroxy[[hydroxy[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-2'-O-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]ox y]phosphinyl]-α-D-ribofuranosyl]-

More details:

• Systematic name

  Adenosine, 5'-O-[hydroxy[[hydroxy[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-2'-O-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]ox y]phosphinyl]-alpha-D-ribofuranosyl]-

• SMILES

  CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)C(C(=O)NCCC(=O)NCCS)O

• Std. InChi

  InChI=1S/C26H46N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62(45,46)59-64(49,50)57-60(40,41)42/h10-13,16-20,24-25,35-38,65H,3-9H2,1-2H3,(H,28,34)(H,29,39)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,27,30,31)(H2,40,41,42)/t12-,13-,16-,17-,18-,19-,20?,24-,25-/m1/s1

• Std. InChIKey

  NFWZJXFBUKDGOX-CAXDFTLSSA-N

• Cite this record

  CSID:30790930, http://www.chemspider.com/Chemical-Structure.30790930.html (accessed 20:30, Dec 9, 2023)