(2S)-2-azaniumyl-3-(3-ethanoyl-4-oxidanidyl-phenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3-ethanoyl-4-oxidanidyl-phenyl)propanoate Openeye Name: (2S)-3-(3-acetyl-4-oxido-phenyl)-2-azaniumyl-propanoate CAS Name: (2S)-3-(3-acetyl-4-oxidophenyl)-2-ammoniopropanoate IUPAC Name: (2S)-3-(3-acetyl-4-oxidophenyl)-2-azaniumylpropanoate Traditional Name: (2S)-3-(3-acetyl-4-oxido-phenyl)-2-ammonio-propionate Formula: C11H12NO4- MolecularWeight: 222.21728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-6(13)8-4-7(2-3-10(8)14)5-9(12)11(15)16/h2-4,9,14H,5,12H2,1H3,(H,15,16)/p-1/t9-/m0/s1