(2S)-3-(4-acetamidophenyl)-2-azaniumyl-propanoate

Systemtic Name: (2S)-3-(4-acetamidophenyl)-2-azaniumyl-propanoate Openeye Name: (2S)-3-(4-acetamidophenyl)-2-azaniumyl-propanoate CAS Name: (2S)-3-(4-acetamidophenyl)-2-ammoniopropanoate IUPAC Name: (2S)-3-(4-acetamidophenyl)-2-azaniumylpropanoate Traditional Name: (2S)-3-(4-acetamidophenyl)-2-ammonio-propionate Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1