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

Systemtic Name: (2S)-2-[[(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]amino]propanoate Openeye Name: (2S)-2-[[(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]propanoate CAS Name: (2S)-2-[[(2R)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxo-2-phenylethyl]amino]propanoate IUPAC Name: (2S)-2-[[(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-phenylacetyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]propionate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C2=CC=CC=C2)C(=O)NC(C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)[O-]

InChI

InChI=1S/C17H24N2O3/c1-12-8-6-7-11-19(12)15(14-9-4-3-5-10-14)16(20)18-13(2)17(21)22/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,18,20)(H,21,22)/t12-,13-,15+/m0/s1