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

Systemtic Name: 2-[[(2S)-2-[ethyl(2-hydroxyethyl)azaniumyl]-2-phenyl-ethanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[ethyl(2-hydroxyethyl)ammonio]-2-phenyl-acetyl]amino]acetate CAS Name: 2-[[(2S)-2-[ethyl(2-hydroxyethyl)ammonio]-1-oxo-2-phenylethyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[ethyl(2-hydroxyethyl)azaniumyl]-2-phenylacetyl]amino]acetate Traditional Name: 2-[[(2S)-2-[ethyl(2-hydroxyethyl)ammonio]-2-phenyl-acetyl]amino]acetate Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-2-16(8-9-17)13(11-6-4-3-5-7-11)14(20)15-10-12(18)19/h3-7,13,17H,2,8-10H2,1H3,(H,15,20)(H,18,19)/t13-/m0/s1