[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N1CCCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)N1CCCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H32N2O4/c1-15(21(27)28-16(2)20(26)24-13-7-6-8-14-24)23-19(25)17-9-11-18(12-10-17)22(3,4)5/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,23,25)/t15-,16+/m0/s1