(2S)-2-azaniumyl-3-(3,4-dimethoxy-5-oxidanyl-phenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3,4-dimethoxy-5-oxidanyl-phenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3-hydroxy-4,5-dimethoxy-phenyl)propanoate CAS Name: (2S)-2-ammonio-3-(3-hydroxy-4,5-dimethoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3-hydroxy-4,5-dimethoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(3-hydroxy-4,5-dimethoxy-phenyl)propionate Formula: C11H15NO5 MolecularWeight: 241.2405

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)C[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H15NO5/c1-16-9-5-6(3-7(12)11(14)15)4-8(13)10(9)17-2/h4-5,7,13H,3,12H2,1-2H3,(H,14,15)/t7-/m0/s1