3-azanyl-2-[2-[2-azanyl-6-carboxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)benzoic acid

Systemtic Name: 3-azanyl-2-[2-[2-azanyl-6-carboxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)benzoic acid Openeye Name: 3-amino-2-[2-[2-amino-6-carboxy-3-(1,1-dimethylpropyl)phenyl]ethyl]-4-(1,1-dimethylpropyl)benzoic acid CAS Name: 3-amino-2-[2-[2-amino-6-carboxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)benzoic acid IUPAC Name: 3-amino-2-[2-[2-amino-6-carboxy-3-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)benzoic acid Traditional Name: 3-amino-2-[2-(2-amino-3-tert-amyl-6-carboxy-phenyl)ethyl]-4-tert-amyl-benzoic acid Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C(C(=C(C=C1)C(=O)O)CCC2=C(C=CC(=C2N)C(C)(C)CC)C(=O)O)N

Isomeric SMILES

CCC(C)(C)C1=C(C(=C(C=C1)C(=O)O)CCC2=C(C=CC(=C2N)C(C)(C)CC)C(=O)O)N

InChI

InChI=1S/C26H36N2O4/c1-7-25(3,4)19-13-11-17(23(29)30)15(21(19)27)9-10-16-18(24(31)32)12-14-20(22(16)28)26(5,6)8-2/h11-14H,7-10,27-28H2,1-6H3,(H,29,30)(H,31,32)