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

Systemtic Name: tert-butyl 2-azanyl-3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: tert-butyl 2-amino-3-[[3-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 2-amino-3-[[oxo-[3-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-[[3-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 2-amino-3-[[3-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid tert-butyl ester Formula: C23H32N6O3 MolecularWeight: 440.53858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O3/c1-23(2,3)32-21(31)19(24)15-27-20(30)16-6-4-7-18(14-16)29-12-8-17(9-13-29)28-22-25-10-5-11-26-22/h4-7,10-11,14,17,19H,8-9,12-13,15,24H2,1-3H3,(H,27,30)(H,25,26,28)