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

Systemtic Name: 2-[[(2S)-2-[butyl(methyl)azaniumyl]-2-phenyl-ethanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[butyl(methyl)ammonio]-2-phenyl-acetyl]amino]acetate CAS Name: 2-[[(2S)-2-[butyl(methyl)ammonio]-1-oxo-2-phenylethyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[butyl(methyl)azaniumyl]-2-phenylacetyl]amino]acetate Traditional Name: 2-[[(2S)-2-[butyl(methyl)ammonio]-2-phenyl-acetyl]amino]acetate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3/c1-3-4-10-17(2)14(12-8-6-5-7-9-12)15(20)16-11-13(18)19/h5-9,14H,3-4,10-11H2,1-2H3,(H,16,20)(H,18,19)/t14-/m0/s1