3-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 3-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 4-[3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]-3-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylic acid CAS Name: 3-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-yl)-4-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]-3-(2-imidazolin-2-yl)isonipecotic acid Formula: C18H30N4O5 MolecularWeight: 382.4546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)C(=O)C1(CCNCC1C2=NCCN2)C(=O)O

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)C(=O)C1(CCNCC1C2=NCCN2)C(=O)O

InChI

InChI=1S/C18H30N4O5/c1-11(9-22-16(26)27-17(2,3)4)13(23)18(15(24)25)5-6-19-10-12(18)14-20-7-8-21-14/h11-12,19H,5-10H2,1-4H3,(H,20,21)(H,22,26)(H,24,25)