Product Code

TRC-S699433

Product Format

Neat

Molecular Formula

13C2 C14 H28 15N N3 O7 S3

Molecular Weight

487.59

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

289711-21-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

D,L-Sulforaphane Glutathione-13C2,15N

Molecular Formula

13C2 C14 H28 15N N3 O7 S3

Molecular Weight

487.59

Accurate Mass

487.116

SMILES

CS(=O)CCCCNC(=S)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)[15NH][13CH2][13C](=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/i8+1,13+1,19+1

IUPAC

(2S)-2-amino-5-[[(2R)-1-(hydroxycarbonyl(113C)methyl(15N)amino)-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Unlabelled CAS Number

289711-21-3

SIL Type

Carbon, Nitrogen

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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D,L-Sulforaphane Glutathione-13C2,15N

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