Analyte Name

N-[4-[3-[2-Amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-L-glutamic Acid

CAS Number

1644286-35-0

Molecular Formula

C20 H21 N5 O8

Molecular Weight

459.409

Accurate Mass

459.139

SMILES

NC1=NC(=O)C(=C(NC=O)N1)C(=O)CCc2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N5O8/c21-20-24-16(22-9-26)15(18(31)25-20)13(27)7-3-10-1-4-11(5-2-10)17(30)23-12(19(32)33)6-8-14(28)29/h1-2,4-5,9,12H,3,6-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,26,31)/t12-/m0/s1

IUPAC

(2S)-2-[[4-[3-(2-amino-6-formamido-4-oxo-1H-pyrimidin-5-yl)-3-oxopropyl]benzoyl]amino]pentanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat