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

Systemtic Name: [2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl] 4-methyl-3-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]benzoate Openeye Name: [2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl] 3-[[1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]-4-methyl-benzoate CAS Name: 3-[[(1-hydroxy-4-methylpentan-2-yl)amino]-oxomethyl]-4-methylbenzoic acid [2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl] ester IUPAC Name: [2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl] 3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-4-methylbenzoate Traditional Name: 4-methyl-3-[(3-methyl-1-methylol-butyl)carbamoyl]benzoic acid [2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl] ester Formula: C29H33N5O6 MolecularWeight: 547.60222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)NC(CC(C)C)CO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(N=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)NC(CC(C)C)CO

InChI

InChI=1S/C29H33N5O6/c1-16(2)13-21(15-35)33-27(36)22-14-19(6-5-17(22)3)29(38)40-23-11-12-24(39-4)34-25(23)28(37)32-20-9-7-18(8-10-20)26(30)31/h5-12,14,16,21,35H,13,15H2,1-4H3,(H3,30,31)(H,32,37)(H,33,36)