2-azanyl-3-[3,4-bis(oxidanyl)-2-propan-2-yl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,4-bis(oxidanyl)-2-propan-2-yl-phenyl]propanoic acid Openeye Name: 2-amino-3-(3,4-dihydroxy-2-isopropyl-phenyl)propanoic acid CAS Name: 2-amino-3-(3,4-dihydroxy-2-propan-2-ylphenyl)propanoic acid IUPAC Name: 2-amino-3-(3,4-dihydroxy-2-propan-2-ylphenyl)propanoic acid Traditional Name: 2-amino-3-(3,4-dihydroxy-2-isopropyl-phenyl)propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1O)O)CC(C(=O)O)N

Isomeric SMILES

CC(C)C1=C(C=CC(=C1O)O)CC(C(=O)O)N

InChI

InChI=1S/C12H17NO4/c1-6(2)10-7(5-8(13)12(16)17)3-4-9(14)11(10)15/h3-4,6,8,14-15H,5,13H2,1-2H3,(H,16,17)