2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methyl-2-oxidanyl-propyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methyl-2-oxidanyl-propyl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-hydroxy-2-methyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(2-hydroxy-2-methylpropyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-hydroxy-2-methylpropyl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(2-hydroxy-2-methyl-propyl)carbamoyl]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=CC=C(C=C3)C(=N)N)C(=O)O)O

Isomeric SMILES

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

InChI

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