Analyte Name

Sodium (2S)-2-((4-(4-(2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)-4-carboxylatobutanoyl)oxy)succinate

Molecular Formula

C24 H22 N5 Na3 O10

Molecular Weight

609.428

Accurate Mass

609.106

SMILES

NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)NC(CCC(=O)O[C@@H](CC(=O)O[Na])C(=O)O[Na])C(=O)O[Na])c2C(=O)N1

InChI

InChI=1S/C24H25N5O10.3Na/c25-24-28-19-18(21(34)29-24)13(10-26-19)6-3-11-1-4-12(5-2-11)20(33)27-14(22(35)36)7-8-17(32)39-15(23(37)38)9-16(30)31;;;/h1-2,4-5,10,14-15H,3,6-9H2,(H,27,33)(H,30,31)(H,35,36)(H,37,38)(H4,25,26,28,29,34);;;/q;3*+1/p-3/t14?,15-;;;/m0.../s1

IUPAC

[2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-[(2S)-1,4-dioxo-1,4-disodiooxybutan-2-yl]oxy-5-oxopentanoyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat