(2S)-2-azanyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid trihydrate

Systemtic Name: (2S)-2-azanyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid trihydrate Openeye Name: (2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid trihydrate CAS Name: (2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid trihydrate IUPAC Name: (2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid trihydrate Traditional Name: (2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propionic acid trihydrate Formula: C24H40N2O11 MolecularWeight: 532.5812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H17NO4.3H2O/c2*1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3;;;/h2*4-6H,7,13H2,1-3H3,(H,14,15);3*1H2/t2*12-;;;/m00.../s1