Analyte Name

2-Mercapto-L-histidine S-Carboxylic Acid Ethyl Ester Dihydrochloride

CAS Number

909272-14-6

Molecular Formula

C9 H13 N3 O4 S

Molecular Weight

259.282

Accurate Mass

259.063

SMILES

CCOC(=O)Sc1nc(C[C@H](N)C(=O)O)c[nH]1

InChI

InChI=1S/C9H13N3O4S/c1-2-16-9(15)17-8-11-4-5(12-8)3-6(10)7(13)14/h4,6H,2-3,10H2,1H3,(H,11,12)(H,13,14)/t6-/m0/s1

IUPAC

(2S)-2-amino-3-(2-ethoxycarbonylsulfanyl-1H-imidazol-4-yl)propanoic acid

Alternate CAS Number

883720-68-1 - free base

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat