4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[4-[(tert-butoxycarbonylamino)methyl]-1-piperidyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-piperidinyl]-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-4-oxobutanoic acid Traditional Name: 2-benzyl-4-[4-[(tert-butoxycarbonylamino)methyl]piperidino]-4-keto-butyric acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H32N2O5/c1-22(2,3)29-21(28)23-15-17-9-11-24(12-10-17)19(25)14-18(20(26)27)13-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,23,28)(H,26,27)