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

Systemtic Name: tert-butyl 2-benzamido-3-[[4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: tert-butyl 2-benzamido-3-[[4-[3-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 2-benzamido-3-[[oxo-[4-[3-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzamido-3-[[4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 2-benzamido-3-[[4-[3-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid tert-butyl ester Formula: C30H36N6O4 MolecularWeight: 544.64464

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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)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(C=C1)N2CCCC(C2)NC3=NC=CC=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H36N6O4/c1-30(2,3)40-28(39)25(35-27(38)21-9-5-4-6-10-21)19-33-26(37)22-12-14-24(15-13-22)36-18-7-11-23(20-36)34-29-31-16-8-17-32-29/h4-6,8-10,12-17,23,25H,7,11,18-20H2,1-3H3,(H,33,37)(H,35,38)(H,31,32,34)