1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]isonipecotic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C20H28N2O5/c1-20(2,3)27-19(26)21-16(13-14-7-5-4-6-8-14)17(23)22-11-9-15(10-12-22)18(24)25/h4-8,15-16H,9-13H2,1-3H3,(H,21,26)(H,24,25)/t16-/m0/s1