Analyte Name

N-[4-[2-(2-Amino-4,5,6,7-tetrahydro-4,6-dioxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Dimethyl Ester

CAS Number

1320346-45-9

Molecular Formula

C22H25N5O7

Molecular Weight

471.46

Accurate Mass

471.1754

SMILES

COC(=O)CC[C@H](NC(=O)c1ccc(CCC2C(=O)NC3=C2C(=O)N=C(N)N3)cc1)C(=O)OC

InChI

InChI=1S/C22H25N5O7/c1-33-15(28)10-9-14(21(32)34-2)24-18(29)12-6-3-11(4-7-12)5-8-13-16-17(25-19(13)30)26-22(23)27-20(16)31/h3-4,6-7,13-14H,5,8-10H2,1-2H3,(H,24,29)(H4,23,25,26,27,30,31)/t13?,14-/m0/s1

IUPAC

dimethyl (2S)-2-[[4-[2-(2-amino-4,6-dioxo-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat