(2S)-2-[[(2R)-2-(4-oxidanylidenepiperidin-1-ium-1-yl)-2-phenyl-ethanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[(2R)-2-(4-oxidanylidenepiperidin-1-ium-1-yl)-2-phenyl-ethanoyl]amino]propanoate Openeye Name: (2S)-2-[[(2R)-2-(4-oxopiperidin-1-ium-1-yl)-2-phenyl-acetyl]amino]propanoate CAS Name: (2S)-2-[[(2R)-1-oxo-2-(4-oxo-1-piperidin-1-iumyl)-2-phenylethyl]amino]propanoate IUPAC Name: (2S)-2-[[(2R)-2-(4-oxopiperidin-1-ium-1-yl)-2-phenylacetyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-(4-ketopiperidin-1-ium-1-yl)-2-phenyl-acetyl]amino]propionate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH+]2CCC(=O)CC2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCC(=O)CC2

InChI

InChI=1S/C16H20N2O4/c1-11(16(21)22)17-15(20)14(12-5-3-2-4-6-12)18-9-7-13(19)8-10-18/h2-6,11,14H,7-10H2,1H3,(H,17,20)(H,21,22)/t11-,14+/m0/s1