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

Systemtic Name: (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid trihydrate Openeye Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid trihydrate CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid trihydrate IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid trihydrate Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid trihydrate Formula: C10H19NO7 MolecularWeight: 265.26036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4.3H2O/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);3*1H2/t10-;;;/m0.../s1