2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-hydroxy-2-methyl-1-oxopropan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-hydroxy-2-methyl-1-oxopropan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(2-hydroxy-2-keto-1,1-dimethyl-ethyl)carbamoyl]benzoic acid Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H24N4O6/c1-26(2,25(35)36)30-22(31)15-9-12-18(20(13-15)24(33)34)17-5-3-4-6-19(17)23(32)29-16-10-7-14(8-11-16)21(27)28/h3-13H,1-2H3,(H3,27,28)(H,29,32)(H,30,31)(H,33,34)(H,35,36)