2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylic acid

Systemtic Name: 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-2-methyl-6-oxo-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxylic acid CAS Name: 2-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-6-oxo-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinecarboxylic acid IUPAC Name: 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-6-keto-2-methyl-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxylic acid Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1(CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H31N5O5/c1-20(2,3)31-19(30)25-13-17(27)26(21(4,14-25)18(28)29)23-15-7-11-24(12-8-15)16-5-9-22-10-6-16/h5-6,9-10,15,23H,7-8,11-14H2,1-4H3,(H,28,29)