Analyte Name

di-tert-Butyl 4,4'-(6,6'-((8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-2,6-diyl)bis(azanediyl))bis(pyridine-6,3-diyl))bis(piperazine-1-carboxylate)

CAS Number

2206135-30-8

Molecular Formula

C41 H55 N11 O5

Molecular Weight

781.946

Accurate Mass

781.439

SMILES

CC1=C(Nc2ccc(cn2)N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N(C4CCCC4)c5nc(Nc6ccc(cn6)N7CCN(CC7)C(=O)OC(C)(C)C)ncc15

InChI

InChI=1S/C41H55N11O5/c1-27-31-26-44-37(46-33-15-13-30(25-43-33)49-18-22-51(23-19-49)39(55)57-41(5,6)7)47-35(31)52(28-10-8-9-11-28)36(53)34(27)45-32-14-12-29(24-42-32)48-16-20-50(21-17-48)38(54)56-40(2,3)4/h12-15,24-26,28H,8-11,16-23H2,1-7H3,(H,42,45)(H,43,44,46,47)

IUPAC

tert-butyl 4-[6-[[8-cyclopentyl-5-methyl-2-[[5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-2-yl]amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazine-1-carboxylate

Country of Origin

CANADA

Product Format

Neat