Analyte Name

4-Hydroxy-alpha-(((1Z)-3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino)-benzeneacetic Acid Anhydride Ethyl Hydrogen Carbonate

Molecular Formula

C16 D4 H15 N O7

Molecular Weight

341.349

Accurate Mass

341.141

SMILES

[2H]c1c([2H])c([C@@H](N\C(=C/C(=O)OC)\C)C(=O)OC(=O)OCC)c([2H])c([2H])c1O

InChI

InChI=1S/C16H19NO7/c1-4-23-16(21)24-15(20)14(11-5-7-12(18)8-6-11)17-10(2)9-13(19)22-3/h5-9,14,17-18H,4H2,1-3H3/b10-9-/t14-/m1/s1/i5D,6D,7D,8D

IUPAC

methyl (Z)-3-[[(1R)-2-ethoxycarbonyloxy-2-oxo-1-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)ethyl]amino]but-2-enoate

Unlabelled CAS Number

1605314-82-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat