N-Aspartyl-L-glutamic Acid Dimethyl Ester Trifluoroacetic Acid Salt

Analyte Name

N-Aspartyl-L-glutamic Acid Dimethyl Ester Trifluoroacetic Acid Salt

Molecular Formula

C11H18N2O7 . C2HF3O2

Molecular Weight

404.29

Accurate Mass

404.1

SMILES

OC(C[C@H](N)C(N[C@H](C(OC)=O)CCC(OC)=O)=O)=O.OC(C(F)(F)F)=O

InChI

InChI=1S/C11H18N2O7.C2HF3O2/c1-19-9(16)4-3-7(11(18)20-2)13-10(17)6(12)5-8(14)15;3-2(4,5)1(6)7/h6-7H,3-5,12H2,1-2H3,(H,13,17)(H,14,15);(H,6,7)/t6-,7-;/m0./s1

IUPAC

(S)-3-amino-4-(((S)-1,5-dimethoxy-1,5-dioxopentan-2-yl)amino)-4-oxobutanoic acid 2,2,2-trifluoroacetic acid salt

Alternate CAS Number

Free Acid: 37465-92-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat