[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate CAS Name: (2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: (2S)-2-(pivaloylamino)propionic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C1=CC=CC=C1)C(=O)N2CCCCC2)NC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C1=CC=CC=C1)C(=O)N2CCCCC2)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H30N2O4/c1-15(22-20(26)21(2,3)4)19(25)27-17(16-11-7-5-8-12-16)18(24)23-13-9-6-10-14-23/h5,7-8,11-12,15,17H,6,9-10,13-14H2,1-4H3,(H,22,26)/t15-,17-/m0/s1