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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-carboxy-3-methyl-butyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(1-carboxy-3-methyl-butyl)carbamoyl]benzoic acid Formula: C28H28N4O6 MolecularWeight: 516.54512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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)CC(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/C28H28N4O6/c1-15(2)13-23(28(37)38)32-25(33)17-9-12-20(22(14-17)27(35)36)19-5-3-4-6-21(19)26(34)31-18-10-7-16(8-11-18)24(29)30/h3-12,14-15,23H,13H2,1-2H3,(H3,29,30)(H,31,34)(H,32,33)(H,35,36)(H,37,38)