Nombre del analito

3'-Desnitro-3'-amino ABT 199

Fórmula molecular

C45 H52 Cl N7 O5 S

Peso molecular

838.456

Masa exacta

837.344

SMILES

CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(N)c5)c(Oc7cnc8[nH]ccc8c7)c4

InChI

InChI=1S/C45H52ClN7O5S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-52-17-19-53(20-18-52)35-7-9-38(42(24-35)58-36-23-32-12-16-48-43(32)50-28-36)44(54)51-59(55,56)37-8-10-41(40(47)25-37)49-27-30-13-21-57-22-14-30/h3-10,12,16,23-25,28,30,49H,11,13-15,17-22,26-27,29,47H2,1-2H3,(H,48,50)(H,51,54)

IUPAC

N-[3-amino-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat