Analyte Name

(S)-2-(4-(3-(2,4-Diamino-6-oxo-1,6-dihydropyrimidin-5-yl)ureido)benzamido)pentanedioic Acid Sodium

Molecular Formula

C17 H17 N7 O7 . 2Na

Molecular Weight

477.34

Accurate Mass

477.1

SMILES

O=C(O[Na])CC[C@@H](C(O[Na])=O)NC(C(C=C1)=CC=C1NC(NC2=C(NC(N)=NC2=O)N)=O)=O

InChI

InChI=1S/C17H19N7O7.2Na/c18-12-11(14(28)24-16(19)23-12)22-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26;;/h1-4,9H,5-6H2,(H,21,27)(H,25,26)(H,29,30)(H2,20,22,31)(H5,18,19,23,24,28);;/q;2*+1/p-2/t9-;;/m0../s1

IUPAC

Sodium (4-(3-(2,6-Diamino-4-oxo-1,4-dihydropyrimidin-5-yl)ureido)benzoyl)-L-glutamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat