3-[[1-[3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]phenyl]piperidin-4-yl]carbonylamino]-2-(2-methylpropoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-[3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]phenyl]piperidin-4-yl]carbonylamino]-2-(2-methylpropoxycarbonylamino)propanoic acid Openeye Name: 3-[[1-[3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]phenyl]piperidine-4-carbonyl]amino]-2-(isobutoxycarbonylamino)propanoic acid CAS Name: 3-[[[1-[3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]phenyl]-4-piperidinyl]-oxomethyl]amino]-2-[[2-methylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[1-[3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]phenyl]piperidine-4-carbonyl]amino]-2-(2-methylpropoxycarbonylamino)propanoic acid Traditional Name: 3-[[1-[3-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)amino]phenyl]isonipecotoyl]amino]-2-(isobutoxycarbonylamino)propionic acid Formula: C26H40N6O5 MolecularWeight: 516.633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC(=CC=C2)NC3=NCC(CN3)(C)C)C(=O)O

Isomeric SMILES

CC(C)COC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC(=CC=C2)NC3=NCC(CN3)(C)C)C(=O)O

InChI

InChI=1S/C26H40N6O5/c1-17(2)14-37-25(36)31-21(23(34)35)13-27-22(33)18-8-10-32(11-9-18)20-7-5-6-19(12-20)30-24-28-15-26(3,4)16-29-24/h5-7,12,17-18,21H,8-11,13-16H2,1-4H3,(H,27,33)(H,31,36)(H,34,35)(H2,28,29,30)