(2S)-2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]amino]propanoate

Systemtic Name: (2S)-2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]amino]propanoate Openeye Name: (2S)-2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]propanoate CAS Name: (2S)-2-[[(2R)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxo-2-phenylethyl]amino]propanoate IUPAC Name: (2S)-2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylacetyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]propionate Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC(C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)[O-]

InChI

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