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

Systemtic Name: tert-butyl 2-azanyl-3-[[3-fluoranyl-4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: tert-butyl 2-amino-3-[[3-fluoro-4-[3-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 2-amino-3-[[[3-fluoro-4-[3-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-[[3-fluoro-4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 2-amino-3-[[3-fluoro-4-[3-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid tert-butyl ester Formula: C23H31FN6O3 MolecularWeight: 458.529043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC(C2)NC3=NC=CC=N3)F)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC(C2)NC3=NC=CC=N3)F)N

InChI

InChI=1S/C23H31FN6O3/c1-23(2,3)33-21(32)18(25)13-28-20(31)15-7-8-19(17(24)12-15)30-11-4-6-16(14-30)29-22-26-9-5-10-27-22/h5,7-10,12,16,18H,4,6,11,13-14,25H2,1-3H3,(H,28,31)(H,26,27,29)