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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(cyclopentylmethylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(cyclopentylmethylcarbamoyl)benzoic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CNC(=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)CNC(=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/C28H28N4O4/c29-25(30)18-9-12-20(13-10-18)32-27(34)23-8-4-3-7-21(23)22-14-11-19(15-24(22)28(35)36)26(33)31-16-17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6,16H2,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)