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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[(3-methyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(hydroxymethyl)-2-methyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[(1-hydroxy-3-methylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[(1-hydroxy-3-methylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(2-methyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C27H29N5O6 MolecularWeight: 519.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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)C(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/C27H29N5O6/c1-14(2)21(13-33)31-25(34)16-6-9-18(20(12-16)27(36)37)19-10-11-22(38-3)32-23(19)26(35)30-17-7-4-15(5-8-17)24(28)29/h4-12,14,21,33H,13H2,1-3H3,(H3,28,29)(H,30,35)(H,31,34)(H,36,37)