2-azanyl-3-[3,4-bis(oxidanyl)phenyl]butanoic acid hydrate

Systemtic Name: 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]butanoic acid hydrate Openeye Name: 2-amino-3-(3,4-dihydroxyphenyl)butanoic acid hydrate CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)butanoic acid hydrate IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)butanoic acid hydrate Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)butyric acid hydrate Formula: C10H15NO5 MolecularWeight: 229.2298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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