2-azanyl-5-[2-(4-azanyl-3-carboxy-5-oxidanyl-phenyl)propan-2-yl]-3-oxidanyl-benzoic acid

Systemtic Name: 2-azanyl-5-[2-(4-azanyl-3-carboxy-5-oxidanyl-phenyl)propan-2-yl]-3-oxidanyl-benzoic acid Openeye Name: 2-amino-5-[1-(4-amino-3-carboxy-5-hydroxy-phenyl)-1-methyl-ethyl]-3-hydroxy-benzoic acid CAS Name: 2-amino-5-[2-(4-amino-3-carboxy-5-hydroxyphenyl)propan-2-yl]-3-hydroxybenzoic acid IUPAC Name: 2-amino-5-[2-(4-amino-3-carboxy-5-hydroxyphenyl)propan-2-yl]-3-hydroxybenzoic acid Traditional Name: 2-amino-5-[1-(4-amino-3-carboxy-5-hydroxy-phenyl)-1-methyl-ethyl]-3-hydroxy-benzoic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C(=C1)C(=O)O)N)O)C2=CC(=C(C(=C2)C(=O)O)N)O

Isomeric SMILES

CC(C)(C1=CC(=C(C(=C1)C(=O)O)N)O)C2=CC(=C(C(=C2)C(=O)O)N)O

InChI

InChI=1S/C17H18N2O6/c1-17(2,7-3-9(15(22)23)13(18)11(20)5-7)8-4-10(16(24)25)14(19)12(21)6-8/h3-6,20-21H,18-19H2,1-2H3,(H,22,23)(H,24,25)