2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[(3,3-dimethylbutan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid Formula: C28H31N5O5 MolecularWeight: 517.57624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C(C)(C)C)NC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C28H31N5O5/c1-15(28(2,3)4)31-25(34)17-8-11-19(21(14-17)27(36)37)20-12-13-22(38-5)33-23(20)26(35)32-18-9-6-16(7-10-18)24(29)30/h6-15H,1-5H3,(H3,29,30)(H,31,34)(H,32,35)(H,36,37)