methyl 3-[[azepan-1-ylcarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]methyl]piperidine-1-carboxylate

Systemtic Name: methyl 3-[[azepan-1-ylcarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 3-[[azepane-1-carbonyl-(tert-butoxycarbonylamino)amino]methyl]piperidine-1-carboxylate CAS Name: 3-[[[1-azepanyl(oxo)methyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[azepane-1-carbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]methyl]piperidine-1-carboxylate Traditional Name: 3-[[azepane-1-carbonyl-(tert-butoxycarbonylamino)amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C20H36N4O5 MolecularWeight: 412.52364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1CCCN(C1)C(=O)OC)C(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1CCCN(C1)C(=O)OC)C(=O)N2CCCCCC2

InChI

InChI=1S/C20H36N4O5/c1-20(2,3)29-17(25)21-24(18(26)22-11-7-5-6-8-12-22)15-16-10-9-13-23(14-16)19(27)28-4/h16H,5-15H2,1-4H3,(H,21,25)