compound 0047618

Properties Image Occurences in reactions MNX_ID MNXM1269244 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C40H42N12O12S2 charge -2 mass 946.24975 reference envipathM:...0f559258a367 InChIKey PCFIDZCIGMGHLB-WYMLVPIESA-L InChI InChI=1S/C40H44N12O12S2/c53-19-15-51(16-20-54)39-47-35(41-26-7-3-1-4-8-26)45-37(49-39)43-28-13-11-25(32(23-28)65(59,60)61)12-14-29-31(57)24-30(33(58)34(29)66(62,63)64)44-38-46-36(42-27-9-5-2-6-10-27)48-40(50-38)52(17-21-55)18-22-56/h1-14,23-24,53-58H,15-22H2,(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/p-2/b14-12+ SMILES O=S(=O)([O-])c1cc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)ccc1/C=C/c1c(O)cc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)c(O)c1S(=O)(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph