2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]-4-methoxy-phenyl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]-4-methoxy-phenyl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-3-pyridyl)carbamoyl]-4-methoxy-phenyl]-5-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[[(6-carbamimidoyl-3-pyridinyl)amino]-oxomethyl]-4-methoxyphenyl]-5-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]-4-methoxyphenyl]-5-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(6-amidino-3-pyridyl)carbamoyl]-4-methoxy-phenyl]-5-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C28H31N5O6 MolecularWeight: 533.57564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)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(CO)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/C28H31N5O6/c1-28(2,3)23(14-34)33-25(35)15-5-8-19(21(11-15)27(37)38)18-9-7-17(39-4)12-20(18)26(36)32-16-6-10-22(24(29)30)31-13-16/h5-13,23,34H,14H2,1-4H3,(H3,29,30)(H,32,36)(H,33,35)(H,37,38)