Analyte Name

(S)-3-Formyl-2,2-dimethyl-5,5-bis(methyl-d3)thiazolidine-4-carboxylic Acid with (1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol Salt

Molecular Formula

C9H9D6NO3S • C9H12N2O4

Molecular Weight

435.52

Accurate Mass

435.19

SMILES

CC1(C)SC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[C@H](C(O)=O)N1C([H])=O.O[C@H](C2=CC=C([N+]([O-])=O)C=C2)[C@H](N)CO

InChI

InChI=1S/C9H12N2O4.C9H15NO3S/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15;1-8(2)6(7(12)13)10(5-11)9(3,4)14-8/h1-4,8-9,12-13H,5,10H2;5-6H,1-4H3,(H,12,13)/t8-,9-;6-/m10/s1/i;1D3,2D3

IUPAC

(S)-3-formyl-2,2-dimethyl-5,5-bis(methyl-d3)thiazolidine-4-carboxylic acid and (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

Alternate CAS Number

56786-96-0

Unlabelled CAS Number

56786-96-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat