[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)C1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O5/c1-13(2)21-19(27)23-17(25)14(3)29-18(26)15-9-11-24(12-10-15)20(28)22-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,22,28)(H2,21,23,25,27)/t14-/m0/s1