Analyte Name

N-Acetyl-S-(4-hydroxy-2-buten-1-yl)-L-cysteine-13C3 Dicyclohexylamine Salt

Molecular Formula

¹³C3C6H15NO4S • C12H23N

Molecular Weight

417.58

Accurate Mass

417.26

SMILES

O=C(N[13C@@H]([13CH2]SC/C=C/CO)[13C](O)=O)C.C1(NC2CCCCC2)CCCCC1

InChI

InChI=1S/C12H23N.C9H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(12)10-8(9(13)14)6-15-5-3-2-4-11/h11-13H,1-10H2;2-3,8,11H,4-6H2,1H3,(H,10,12)(H,13,14)/b;3-2+/t;8-/m.0/s1/i;6+1,8+1,9+1

IUPAC

dicyclohexylamine (E)-N-acetyl-S-(4-hydroxybut-2-en-1-yl)-L-cysteinate-13C3

Unlabelled CAS Number

33164-69-1; free acid: 1807616-74-5

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat