dimethyl (4R,17R)-6,15-bis(oxidanylidene)-1,2-dithia-5,16-diazacyclooctadecane-4,17-dicarboxylate

Systemtic Name: dimethyl (4R,17R)-6,15-bis(oxidanylidene)-1,2-dithia-5,16-diazacyclooctadecane-4,17-dicarboxylate Openeye Name: dimethyl (4R,17R)-6,15-dioxo-1,2-dithia-5,16-diazacyclooctadecane-4,17-dicarboxylate CAS Name: (4R,17R)-6,15-dioxo-1,2-dithia-5,16-diazacyclooctadecane-4,17-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4R,17R)-6,15-dioxo-1,2-dithia-5,16-diazacyclooctadecane-4,17-dicarboxylate Traditional Name: (4R,17R)-6,15-diketo-1,2-dithia-5,16-diazacyclooctadecane-4,17-dicarboxylic acid dimethyl ester Formula: C18H30N2O6S2 MolecularWeight: 434.5706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSSCC(NC(=O)CCCCCCCCC(=O)N1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O6S2/c1-25-17(23)13-11-27-28-12-14(18(24)26-2)20-16(22)10-8-6-4-3-5-7-9-15(21)19-13/h13-14H,3-12H2,1-2H3,(H,19,21)(H,20,22)/t13-,14-/m0/s1