Acalabrutinib M5 Metabolite

CAT No.

ALN-A078004

CAS No.

Mol. F.

C36H40N10O8S

Mol. Wt.

772.8

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Product Overview

Technical Data

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Product Overview

Chemical Name : N5-((R)-3-(((Z)-4-((S)-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)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)-L-glutamine

Smiles : O=C(O)[C@@H](N)CCC(N[C@H](C(NCC(O)=O)=O)CS/C(C)=C\C(N1[C@H](C2=NC(C3=CC=C(C(NC4=NC=CC=C4)=O)C=C3)=C5C(N)=NC=CN52)CCC1)=O)=O

Inchi : InChI=1S/C21H19N5O3/c1-2-4-16(27)25-11-3-5-15(25)20-24-17(18-19(22)23-10-12-26(18)20)13-6-8-14(9-7-13)21(28)29/h6-10,12,15H,3,5,11H2,1H3,(H2,22,23)(H,28,29)/t15-/m0/s1

Technical Data