Analyte Name

(2E,6S)-7-((1-(2-((2-Ethylbutyl)amino)-2-oxoethyl)-1,2-dihydro-2-oxo-3-pyridinyl)amino)-6-(((1-methyl-1H-imidazol-5-yl)carbonyl)amino)-7-oxo-2-heptenoic Acid Methyl Ester-d3

Molecular Formula

C26 D3 H33 N6 O6

Molecular Weight

531.619

Accurate Mass

531.288

SMILES

[2H]C([2H])([2H])n1cncc1C(=O)N[C@@H](CC\C=C\C(=O)OC)C(=O)NC2=CC=CN(CC(=O)NCC(CC)CC)C2=O

InChI

InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1/i3D3

IUPAC

methyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-7-oxo-6-[[3-(trideuteriomethyl)imidazole-4-carbonyl]amino]hept-2-enoate

Unlabelled CAS Number

1542132-88-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat