Analyte Name

N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-beta-alanine-d3 Ethyl Ester

Molecular Formula

C18 D3 H19 N4 O3

Molecular Weight

345.411

Accurate Mass

345.188

SMILES

[2H]C([2H])([2H])Nc1ccc(cc1N)C(=O)N(CCC(=O)OCC)c2ccccn2

InChI

InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3/i2D3

IUPAC

ethyl 3-[[3-amino-4-(trideuteriomethylamino)benzoyl]-pyridin-2-ylamino]propanoate

Unlabelled CAS Number

212322-56-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat