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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(1,3-dimethylbutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(4-methylpentan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-methylpentan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(1,3-dimethylbutylcarbamoyl)benzoic acid Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)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)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/C28H30N4O4/c1-16(2)14-17(3)31-26(33)19-10-13-22(24(15-19)28(35)36)21-6-4-5-7-23(21)27(34)32-20-11-8-18(9-12-20)25(29)30/h4-13,15-17H,14H2,1-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)