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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[(3-ethyl-3-oxidanyl-pentan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(2-ethyl-2-hydroxy-1-methyl-butyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[(3-ethyl-3-hydroxypentan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[(3-ethyl-3-hydroxypentan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(2-ethyl-2-hydroxy-1-methyl-butyl)carbamoyl]benzoic acid Formula: C29H33N5O6 MolecularWeight: 547.60222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(C)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)O

Isomeric SMILES

CCC(CC)(C(C)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)O

InChI

InChI=1S/C29H33N5O6/c1-5-29(39,6-2)16(3)32-26(35)18-9-12-20(22(15-18)28(37)38)21-13-14-23(40-4)34-24(21)27(36)33-19-10-7-17(8-11-19)25(30)31/h7-16,39H,5-6H2,1-4H3,(H3,30,31)(H,32,35)(H,33,36)(H,37,38)