Analyte Name

N-(4-(((2-Amino-6,7,8,9-tetrahydro-8-methyl-4,9-dioxo-4H-pyrazino(1,2-a)-1,3,5-triazin-7-yl)methyl)amino)benzoyl)-L-glutamic Acid

CAS Number

79573-48-1

Molecular Formula

C20 H23 N7 O7

Molecular Weight

473.439

Accurate Mass

473.166

SMILES

CN1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CN3C(=O)N=C(N)N=C3C1=O

InChI

InChI=1S/C20H23N7O7/c1-26-12(9-27-15(17(26)31)24-19(21)25-20(27)34)8-22-11-4-2-10(3-5-11)16(30)23-13(18(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,23,30)(H,28,29)(H,32,33)(H2,21,25,34)/t12?,13-/m0/s1

IUPAC

(2S)-2-[[4-[(2-amino-8-methyl-4,9-dioxo-6,7-dihydropyrazino[1,2-a][1,3,5]triazin-7-yl)methylamino]benzoyl]amino]pentanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat