2-[2-[(4-carbamimidoyl-2-oxidanyl-phenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoyl-2-oxidanyl-phenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoyl-2-hydroxy-phenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoyl-2-hydroxyanilino)-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoyl-2-hydroxyphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidino-2-hydroxy-phenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O5/c1-14(2)13-29-24(32)16-7-9-18(20(11-16)26(34)35)17-5-3-4-6-19(17)25(33)30-21-10-8-15(23(27)28)12-22(21)31/h3-12,14,31H,13H2,1-2H3,(H3,27,28)(H,29,32)(H,30,33)(H,34,35)