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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH+]2CCCCCC2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCCCCC2

InChI

InChI=1S/C17H24N2O3/c1-13(17(21)22)18-16(20)15(14-9-5-4-6-10-14)19-11-7-2-3-8-12-19/h4-6,9-10,13,15H,2-3,7-8,11-12H2,1H3,(H,18,20)(H,21,22)/t13-,15+/m0/s1