ACP-5461

Analyte Name

(2R)-2-amino-3-[(E)-4-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-oxobut-2-en-2-yl]sulfanylpropanoic acid

Molecular Formula

C29 H30 N8 O4 S

Molecular Weight

586.665

Accurate Mass

586.211

SMILES

C\C(=C/C(=O)N1CCC[C@H]1c2nc(c3ccc(cc3)C(=O)Nc4ccccn4)c5c(N)nccn25)\SC[C@H](N)C(=O)O

InChI

InChI=1S/C29H30N8O4S/c1-17(42-16-20(30)29(40)41)15-23(38)36-13-4-5-21(36)27-35-24(25-26(31)33-12-14-37(25)27)18-7-9-19(10-8-18)28(39)34-22-6-2-3-11-32-22/h2-3,6-12,14-15,20-21H,4-5,13,16,30H2,1H3,(H2,31,33)(H,40,41)(H,32,34,39)/b17-15+/t20-,21-/m0/s1

IUPAC

(2R)-2-amino-3-[(E)-4-[(2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-4-oxobut-2-en-2-yl]sulfanylpropanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat