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

Systemtic Name: 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 2-azanyl-3-methyl-butanoic acid Openeye Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-amino-3-methyl-butanoic acid CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-amino-3-methylbutanoic acid IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-amino-3-methylbutanoic acid Traditional Name: 2-amino-3-(3,4-dihydroxyphenyl)propionic acid; 2-amino-3-methyl-butyric acid Formula: C23H33N3O10 MolecularWeight: 511.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.C1=CC(=C(C=C1CC(C(=O)O)N)O)O.C1=CC(=C(C=C1CC(C(=O)O)N)O)O

Isomeric SMILES

CC(C)C(C(=O)O)N.C1=CC(=C(C=C1CC(C(=O)O)N)O)O.C1=CC(=C(C=C1CC(C(=O)O)N)O)O

InChI

InChI=1S/2C9H11NO4.C5H11NO2/c2*10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;1-3(2)4(6)5(7)8/h2*1-2,4,6,11-12H,3,10H2,(H,13,14);3-4H,6H2,1-2H3,(H,7,8)