Analyte Name

D,L-Sulforaphane Glutathione-d5

Molecular Formula

C16 D5 H23 N4 O7 S3

Molecular Weight

489.642

Accurate Mass

489.143

SMILES

[2H]C([2H])(C(=O)N[C@@H](CSC(=S)NCCCCS(=O)C)C(=O)NCC(=O)O)C([2H])([2H])[C@]([2H])(N)C(=O)O

InChI

InChI=1S/C16H28N4O7S3/c1-30(27)7-3-2-6-18-16(28)29-9-11(14(24)19-8-13(22)23)20-12(21)5-4-10(17)15(25)26/h10-11H,2-9,17H2,1H3,(H,18,28)(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t10-,11-,30?/m0/s1/i4D2,5D2,10D

IUPAC

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)-1-oxopropan-2-yl]amino]-2,3,3,4,4-pentadeuterio-5-oxopentanoic acid

Unlabelled CAS Number

289711-21-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat