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

Systemtic Name: tert-butyl 2-oxidanyl-3-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: tert-butyl 2-hydroxy-3-[[4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 2-hydroxy-3-[[oxo-[4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-hydroxy-3-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 2-hydroxy-3-[[4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid tert-butyl ester Formula: C23H31N5O4 MolecularWeight: 441.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/c1-23(2,3)32-21(31)19(29)15-26-20(30)16-5-7-18(8-6-16)28-13-9-17(10-14-28)27-22-24-11-4-12-25-22/h4-8,11-12,17,19,29H,9-10,13-15H2,1-3H3,(H,26,30)(H,24,25,27)