tert-butyl 2-acetamido-3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: tert-butyl 2-acetamido-3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: tert-butyl 2-acetamido-3-[[3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 2-acetamido-3-[[oxo-[3-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetamido-3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 2-acetamido-3-[[3-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid tert-butyl ester Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CNC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC(CNC(=O)C1=CC(=CC=C1)N2CCC(CC2)NC3=NC=CC=N3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H34N6O4/c1-17(32)29-21(23(34)35-25(2,3)4)16-28-22(33)18-7-5-8-20(15-18)31-13-9-19(10-14-31)30-24-26-11-6-12-27-24/h5-8,11-12,15,19,21H,9-10,13-14,16H2,1-4H3,(H,28,33)(H,29,32)(H,26,27,30)