(2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid hydrate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O

Isomeric SMILES

C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O

InChI

InChI=1S/C10H13NO4.H2O/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;/h2-4,12-13H,5,11H2,1H3,(H,14,15);1H2/t10-;/m0./s1