N-(2-Ethyl-6-methylphenyl)-N-(2-sulfoacetyl)-L-alanine

Analyte Name

N-(2-Ethyl-6-methylphenyl)-N-(2-sulfoacetyl)-L-alanine

CAS Number

1418095-19-8

Molecular Formula

C14 H19 N O6 S

Molecular Weight

329.37

Accurate Mass

329.0933

SMILES

CCc1cccc(C)c1N([C@@H](C)C(=O)O)C(=O)CS(=O)(=O)O

InChI

InChI=1S/C14H19NO6S/c1-4-11-7-5-6-9(2)13(11)15(10(3)14(17)18)12(16)8-22(19,20)21/h5-7,10H,4,8H2,1-3H3,(H,17,18)(H,19,20,21)/t10-/m0/s1

IUPAC

(2S)-2-(2-ethyl-6-methyl-N-(2-sulfoacetyl)anilino)propanoic acid

Alternate CAS Number

1418095-19-8

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat