Bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]methyl} (3R,22R)-3,22-dihydroxy-2,2,23,23-tetramethyl-4,8,17,21-tetraoxo-12,13-dithia-5,9,16,20-tetraazatetr acosane-1,24-diyl bis[dihydrogen (diphosphate)] (non-preferred name)

SMILES:

O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n3cnc2c(ncnc23)N)[C@H](O)[C@@H]4OP(=O)(O)O)n5c6ncnc(N)c6nc5 CopyCopied

Std. InChI:

InChI=1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/t21-,22-,27-,28-,29-,30-,31+,32+,39-,40-/m1/s1 CopyCopied

Std. InChIKey:

YAISMNQCMHVVLO-ODFVJXNFSA-N CopyCopied

CSID:148101, http://www.chemspider.com/Chemical-Structure.148101.html (accessed 01:27, Jun 19, 2013) CopyCopied