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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[1-[ethanimidoyl(methyl)amino]-4-methyl-pentan-2-yl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[1-[[ethanimidoyl(methyl)amino]methyl]-3-methyl-butyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[1-[1-iminoethyl(methyl)amino]-4-methylpentan-2-yl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[1-[ethanimidoyl(methyl)amino]-4-methylpentan-2-yl]benzoic acid Traditional Name: 5-[1-[[acetimidoyl(methyl)amino]methyl]-3-methyl-butyl]-2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]benzoic acid Formula: C30H36N6O4 MolecularWeight: 544.64464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN(C)C(=N)C)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(CN(C)C(=N)C)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/C30H36N6O4/c1-17(2)14-21(16-36(4)18(3)31)20-8-11-23(25(15-20)30(38)39)24-12-13-26(40-5)35-27(24)29(37)34-22-9-6-19(7-10-22)28(32)33/h6-13,15,17,21,31H,14,16H2,1-5H3,(H3,32,33)(H,34,37)(H,38,39)