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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylbutan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(1,1-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(2-methylbutan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylbutan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(tert-amylcarbamoyl)benzoic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(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

CCC(C)(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/C27H28N4O4/c1-4-27(2,3)31-24(32)17-11-14-20(22(15-17)26(34)35)19-7-5-6-8-21(19)25(33)30-18-12-9-16(10-13-18)23(28)29/h5-15H,4H2,1-3H3,(H3,28,29)(H,30,33)(H,31,32)(H,34,35)