2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 5-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]benzoic acid Formula: C31H26N4O6 MolecularWeight: 550.56134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(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

C1=CC=C(C=C1)CC(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/C31H26N4O6/c32-27(33)19-10-13-21(14-11-19)34-29(37)24-9-5-4-8-22(24)23-15-12-20(17-25(23)30(38)39)28(36)35-26(31(40)41)16-18-6-2-1-3-7-18/h1-15,17,26H,16H2,(H3,32,33)(H,34,37)(H,35,36)(H,38,39)(H,40,41)