5-[3-carboxy-4-(3-methylbutanoylamino)phenyl]-2-(3-methylbutanoylamino)benzoic acid

Systemtic Name: 5-[3-carboxy-4-(3-methylbutanoylamino)phenyl]-2-(3-methylbutanoylamino)benzoic acid Openeye Name: 5-[3-carboxy-4-(3-methylbutanoylamino)phenyl]-2-(3-methylbutanoylamino)benzoic acid CAS Name: 5-[3-carboxy-4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 5-[3-carboxy-4-(3-methylbutanoylamino)phenyl]-2-(3-methylbutanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(isovalerylamino)phenyl]-2-(isovalerylamino)benzoic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C24H28N2O6/c1-13(2)9-21(27)25-19-7-5-15(11-17(19)23(29)30)16-6-8-20(18(12-16)24(31)32)26-22(28)10-14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)