Analyte Name

N-Acetyl-S-[3-(d3)-acetamino-6-hydroxphenyl]-cysteine Allyl

CAS Number

1331889-45-2

Molecular Formula

C16 D5 H15 N2 O5 S

Molecular Weight

357.436

Accurate Mass

357.141

SMILES

[2H]c1cc(O)c(SC[C@H](NC(=O)C)C(=O)OCC=C)c([2H])c1NC(=O)C([2H])([2H])[2H]

InChI

InChI=1S/C16H20N2O5S/c1-4-7-23-16(22)13(18-11(3)20)9-24-15-8-12(17-10(2)19)5-6-14(15)21/h4-6,8,13,21H,1,7,9H2,2-3H3,(H,17,19)(H,18,20)/t13-/m0/s1/i2D3,5D,8D

IUPAC

prop-2-enyl (2R)-2-acetamido-3-[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanylpropanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat