2-[[(2S)-2-[butyl(ethyl)azaniumyl]-2-phenyl-ethanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-[butyl(ethyl)azaniumyl]-2-phenyl-ethanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[butyl(ethyl)ammonio]-2-phenyl-acetyl]amino]acetate CAS Name: 2-[[(2S)-2-[butyl(ethyl)ammonio]-1-oxo-2-phenylethyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[butyl(ethyl)azaniumyl]-2-phenylacetyl]amino]acetate Traditional Name: 2-[[(2S)-2-[butyl(ethyl)ammonio]-2-phenyl-acetyl]amino]acetate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C1=CC=CC=C1)C(=O)NCC(=O)[O-]

Isomeric SMILES

CCCC[NH+](CC)[C@@H](C1=CC=CC=C1)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-3-5-11-18(4-2)15(13-9-7-6-8-10-13)16(21)17-12-14(19)20/h6-10,15H,3-5,11-12H2,1-2H3,(H,17,21)(H,19,20)/t15-/m0/s1