2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-carboxycyclopentyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-carboxycyclopentyl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-carboxycyclopentyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-carboxycyclopentyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-carboxycyclopentyl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(1-carboxycyclopentyl)carbamoyl]benzoic acid Formula: C28H26N4O6 MolecularWeight: 514.52924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CCC(C1)(C(=O)O)NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C28H26N4O6/c29-23(30)16-7-10-18(11-8-16)31-25(34)21-6-2-1-5-19(21)20-12-9-17(15-22(20)26(35)36)24(33)32-28(27(37)38)13-3-4-14-28/h1-2,5-12,15H,3-4,13-14H2,(H3,29,30)(H,31,34)(H,32,33)(H,35,36)(H,37,38)