Analyte Name

(S)-4-(4-(2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)-5-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)-5-oxopentanoic Acid

CAS Number

2518419-18-4

Molecular Formula

C24H30N6O8

Molecular Weight

530.53

Accurate Mass

530.21

SMILES

O=C(O)CC[C@H](NC(C1=CC=C(CCC2=CNC(N=C(N)N3)=C2C3=O)C=C1)=O)C(NC(CO)(CO)CO)=O

InChI

InChI=1S/C24H30N6O8/c25-23-28-19-18(22(38)29-23)15(9-26-19)6-3-13-1-4-14(5-2-13)20(36)27-16(7-8-17(34)35)21(37)30-24(10-31,11-32)12-33/h1-2,4-5,9,16,31-33H,3,6-8,10-12H2,(H,27,36)(H,30,37)(H,34,35)(H4,25,26,28,29,38)/t16-/m0/s1

IUPAC

(S)-4-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)-5-((1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)-5-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat