ACP-5531

Analyte Name

2-(((2S)-2-amino-2-((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)sulfanylacetyl)amino)acetic acid

Molecular Formula

C30 H31 N9 O5 S

Molecular Weight

629.689

Accurate Mass

629.217

SMILES

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

InChI

InChI=1S/C30H31N9O5S/c1-17(45-27(32)30(44)35-16-23(41)42)15-22(40)38-13-4-5-20(38)28-37-24(25-26(31)34-12-14-39(25)28)18-7-9-19(10-8-18)29(43)36-21-6-2-3-11-33-21/h2-3,6-12,14-15,20,27H,4-5,13,16,32H2,1H3,(H2,31,34)(H,35,44)(H,41,42)(H,33,36,43)/b17-15+/t20-,27-/m0/s1

IUPAC

2-[[(2S)-2-amino-2-[(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]sulfanylacetyl]amino]acetic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat