octamethyl (4R,14R,19R,29R,34R,44R,49R,59R)-6,12,21,27,36,42,51,57-octakis(oxidanylidene)-1,2,16,17,31,32,46,47-octathia-5,13,20,28,35,43,50,58-octazacyclohexacontane-4,14,19,29,34,44,49,59-octacarboxylate

Systemtic Name: octamethyl (4R,14R,19R,29R,34R,44R,49R,59R)-6,12,21,27,36,42,51,57-octakis(oxidanylidene)-1,2,16,17,31,32,46,47-octathia-5,13,20,28,35,43,50,58-octazacyclohexacontane-4,14,19,29,34,44,49,59-octacarboxylate Openeye Name: octamethyl (4R,14R,19R,29R,34R,44R,49R,59R)-6,12,21,27,36,42,51,57-octaoxo-1,2,16,17,31,32,46,47-octathia-5,13,20,28,35,43,50,58-octazacyclohexacontane-4,14,19,29,34,44,49,59-octacarboxylate CAS Name: (4R,14R,19R,29R,34R,44R,49R,59R)-6,12,21,27,36,42,51,57-octaoxo-1,2,16,17,31,32,46,47-octathia-5,13,20,28,35,43,50,58-octazacyclohexacontane-4,14,19,29,34,44,49,59-octacarboxylic acid octamethyl ester IUPAC Name: octamethyl (4R,14R,19R,29R,34R,44R,49R,59R)-6,12,21,27,36,42,51,57-octaoxo-1,2,16,17,31,32,46,47-octathia-5,13,20,28,35,43,50,58-octazacyclohexacontane-4,14,19,29,34,44,49,59-octacarboxylate Traditional Name: (4R,14R,19R,29R,34R,44R,49R,59R)-6,12,21,27,36,42,51,57-octaketo-1,2,16,17,31,32,46,47-octathia-5,13,20,28,35,43,50,58-octazacyclohexacontane-4,14,19,29,34,44,49,59-octacarboxylic acid octamethyl ester Formula: C60H96N8O24S8 MolecularWeight: 1569.96344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSSCC(NC(=O)CCCCCC(=O)NC(CSSCC(NC(=O)CCCCCC(=O)NC(CSSCC(NC(=O)CCCCCC(=O)NC(CSSCC(NC(=O)CCCCCC(=O)N1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1CSSC[C@H](NC(=O)CCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCC(=O)N1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C60H96N8O24S8/c1-85-53(77)37-29-93-94-30-38(54(78)86-2)62-46(70)23-15-10-16-24-48(72)64-41(57(81)89-5)33-97-98-34-42(58(82)90-6)66-50(74)27-19-12-20-28-52(76)68-44(60(84)92-8)36-100-99-35-43(59(83)91-7)67-51(75)26-18-11-17-25-49(73)65-40(56(80)88-4)32-96-95-31-39(55(79)87-3)63-47(71)22-14-9-13-21-45(69)61-37/h37-44H,9-36H2,1-8H3,(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t37-,38-,39-,40-,41-,42-,43-,44-/m0/s1