2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[[4-(hydroxymethyl)-2,6-dimethyl-heptan-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[[4-(hydroxymethyl)-2,6-dimethyl-heptan-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(hydroxymethyl)-1-isobutyl-3-methyl-butyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[[4-(hydroxymethyl)-2,6-dimethylheptan-4-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[[4-(hydroxymethyl)-2,6-dimethylheptan-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(1-isobutyl-3-methyl-1-methylol-butyl)carbamoyl]benzoic acid Formula: C32H39N5O6 MolecularWeight: 589.68196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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)CC(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/C32H39N5O6/c1-18(2)15-32(17-38,16-19(3)4)37-29(39)21-8-11-23(25(14-21)31(41)42)24-12-13-26(43-5)36-27(24)30(40)35-22-9-6-20(7-10-22)28(33)34/h6-14,18-19,38H,15-17H2,1-5H3,(H3,33,34)(H,35,40)(H,37,39)(H,41,42)