Analyte Name

(4S)-4-(6,8-bis(trideuteriomethylsulfanyl)octanoylamino)-5-(((1S)-1-carboxyethyl)amino)-5-oxopentanoic acid

Molecular Formula

C18 D6 H26 N2 O6 S2

Molecular Weight

442.623

Accurate Mass

442.208

SMILES

[2H]C([2H])([2H])SCCC(CCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)SC([2H])([2H])[2H]

InChI

InChI=1S/C18H32N2O6S2/c1-12(18(25)26)19-17(24)14(8-9-16(22)23)20-15(21)7-5-4-6-13(28-3)10-11-27-2/h12-14H,4-11H2,1-3H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t12-,13?,14-/m0/s1/i2D3,3D3

IUPAC

(4S)-4-[6,8-bis(trideuteriomethylsulfanyl)octanoylamino]-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat