(2S)-2-azanyl-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid hydrate Openeye Name: (2S)-2-amino-3-(4-hydroxy-3-methoxy-phenyl)propanoic acid hydrate CAS Name: (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid hydrate IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid hydrate Traditional Name: (2S)-2-amino-3-(4-hydroxy-3-methoxy-phenyl)propionic acid hydrate Formula: C10H15NO5 MolecularWeight: 229.2298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C(=O)O)N)O.O

Isomeric SMILES

COC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O.O

InChI

InChI=1S/C10H13NO4.H2O/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14;/h2-3,5,7,12H,4,11H2,1H3,(H,13,14);1H2/t7-;/m0./s1