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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(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

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