Analyte Name

DEMDD

Molecular Formula

C51 H60 N4 O6 S2

Molecular Weight

889.175

Accurate Mass

888.395

SMILES

CCOC(=O)C(CCC[C@@H]1SC[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4)(CCC[C@@H]5SC[C@@H]6[C@H]5N(Cc7ccccc7)C(=O)N6Cc8ccccc8)C(=O)OCC

InChI

InChI=1S/C51H60N4O6S2/c1-3-60-47(56)51(48(57)61-4-2,29-17-27-43-45-41(35-62-43)52(31-37-19-9-5-10-20-37)49(58)54(45)33-39-23-13-7-14-24-39)30-18-28-44-46-42(36-63-44)53(32-38-21-11-6-12-22-38)50(59)55(46)34-40-25-15-8-16-26-40/h5-16,19-26,41-46H,3-4,17-18,27-36H2,1-2H3/t41-,42+,43-,44-,45-,46+/m0/s1

IUPAC

diethyl 2-[3-[(3aR,4S,6aS)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]propyl]-2-[3-[(3aS,4S,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]propyl]propanedioate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat