(2S)-2-azaniumyl-3-(2,6-dimethoxy-4-oxidanyl-phenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(2,6-dimethoxy-4-oxidanyl-phenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(4-hydroxy-2,6-dimethoxy-phenyl)propanoate CAS Name: (2S)-2-ammonio-3-(4-hydroxy-2,6-dimethoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(4-hydroxy-2,6-dimethoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(4-hydroxy-2,6-dimethoxy-phenyl)propionate Formula: C11H15NO5 MolecularWeight: 241.2405

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1CC(C(=O)[O-])[NH3+])OC)O

Isomeric SMILES

COC1=CC(=CC(=C1C[C@@H](C(=O)[O-])[NH3+])OC)O

InChI

InChI=1S/C11H15NO5/c1-16-9-3-6(13)4-10(17-2)7(9)5-8(12)11(14)15/h3-4,8,13H,5,12H2,1-2H3,(H,14,15)/t8-/m0/s1