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

(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: C20H32N2O11
MolecularWeight: 476.47488
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Descriptors Computed from Structure

Canonical SMILES:

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


InChI

InChI=1S/2C10H13NO4.3H2O/c2*1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6;;;/h2*2-4,12-13H,5,11H2,1H3,(H,14,15);3*1H2/t2*10-;;;/m00.../s1


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