Analyte Name

A333561

Molecular Formula

C48 D8 H44 Cl2 N4 O12

Molecular Weight

955.901

Accurate Mass

954.346

SMILES

[2H]C([2H])(NC(=O)c1ccccc1C(=O)NC([2H])([2H])C([2H])([2H])OCC2=C(C(C(=C(C)N2)C(=O)OC)c3ccccc3Cl)C(=O)OCC)C([2H])([2H])OCC4=C(C(C(=C(C)N4)C(=O)OC)c5ccccc5Cl)C(=O)OCC

InChI

InChI=1S/C48H52Cl2N4O12/c1-7-65-47(59)41-35(53-27(3)37(45(57)61-5)39(41)31-17-11-13-19-33(31)49)25-63-23-21-51-43(55)29-15-9-10-16-30(29)44(56)52-22-24-64-26-36-42(48(60)66-8-2)40(32-18-12-14-20-34(32)50)38(28(4)54-36)46(58)62-6/h9-20,39-40,53-54H,7-8,21-26H2,1-6H3,(H,51,55)(H,52,56)/i21D2,22D2,23D2,24D2

IUPAC

3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[[2-[[2-[[2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxy]-1,1,2,2-tetradeuterioethyl]carbamoyl]benzoyl]amino]-1,1,2,2-tetradeuterioethoxy]methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Unlabelled CAS Number

721958-75-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat