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

Systemtic Name: 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]-4-methoxy-phenyl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-3-pyridyl)carbamoyl]-4-methoxy-phenyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(6-carbamimidoyl-3-pyridinyl)amino]-oxomethyl]-4-methoxyphenyl]-5-[(3,3-dimethylbutan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]-4-methoxyphenyl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(6-amidino-3-pyridyl)carbamoyl]-4-methoxy-phenyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid Formula: C28H31N5O5 MolecularWeight: 517.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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