Analyte Name

N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 5-Methyl Ester

CAS Number

1265908-64-2

Molecular Formula

C21 H23 N5 O6

Molecular Weight

441.437

Accurate Mass

441.165

SMILES

COC(=O)CC[C@H](NC(=O)c1ccc(CCc2c[nH]c3NC(=NC(=O)c23)N)cc1)C(=O)O

InChI

InChI=1S/C21H23N5O6/c1-32-15(27)9-8-14(20(30)31)24-18(28)12-5-2-11(3-6-12)4-7-13-10-23-17-16(13)19(29)26-21(22)25-17/h2-3,5-6,10,14H,4,7-9H2,1H3,(H,24,28)(H,30,31)(H4,22,23,25,26,29)/t14-/m0/s1

IUPAC

(2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-methoxy-5-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat