Analyte Name

N,N'-Di[1-pyrrolidinyl-3,3,4-d3-1-15N-oxy 2,2,5,5-Tetra(methyl-d3)-4-carboxyl] Cystamine

CAS Number

1821198-04-2

Molecular Formula

C22 D30 H10 15N2 N2 O4 S2

Molecular Weight

520.879

Accurate Mass

520.431

SMILES

[2H]C([2H])([2H])C1([15N]([O])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])(C(=O)NCCSSCCNC(=O)C2([2H])C([2H])([2H])C([15N]([O])C2(C([2H])([2H])[2H])C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C1([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C22H40N4O4S2/c1-19(2)13-15(21(5,6)25(19)29)17(27)23-9-11-31-32-12-10-24-18(28)16-14-20(3,4)26(30)22(16,7)8/h15-16H,9-14H2,1-8H3,(H,23,27)(H,24,28)/i1D3,2D3,3D3,4D3,5D3,6D3,7D3,8D3,13D2,14D2,15D,16D,25+1,26+1

IUPAC

3,4,4-trideuterio-1-?1-oxidanyl-N-[2-[2-[[3,4,4-trideuterio-1-?1-oxidanyl-2,2,5,5-tetrakis(trideuteriomethyl)(115N)azolidine-3-carbonyl]amino]ethyldisulfanyl]ethyl]-2,2,5,5-tetrakis(trideuteriomethyl)(115N)azolidine-3-carboxamide

Unlabelled CAS Number

1821198-03-1

SIL Type

Nitrogen, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat