4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 4-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]-1-tert-butoxycarbonyl-piperidine-4-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 4-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]-1-tert-butoxycarbonyl-isonipecotic acid Formula: C23H33N3O7 MolecularWeight: 463.52402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)C(C)(C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)C(C)(C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H33N3O7/c1-21(2,3)33-20(31)26-13-11-23(12-14-26,18(28)29)24-17(27)22(4,5)25-19(30)32-15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3,(H,24,27)(H,25,30)(H,28,29)