2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[(1-hydroxy-4-methylpentan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(3-methyl-1-methylol-butyl)carbamoyl]benzoic acid Formula: C28H31N5O6 MolecularWeight: 533.57564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)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)CC(CO)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/C28H31N5O6/c1-15(2)12-19(14-34)32-26(35)17-6-9-20(22(13-17)28(37)38)21-10-11-23(39-3)33-24(21)27(36)31-18-7-4-16(5-8-18)25(29)30/h4-11,13,15,19,34H,12,14H2,1-3H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)