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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[(3-oxidanyl-3-propyl-hexan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(2-hydroxy-1-methyl-2-propyl-pentyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[(3-hydroxy-3-propylhexan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[(3-hydroxy-3-propylhexan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(2-hydroxy-1-methyl-2-propyl-pentyl)carbamoyl]benzoic acid Formula: C31H37N5O6 MolecularWeight: 575.65538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(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

CCCC(CCC)(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/C31H37N5O6/c1-5-15-31(41,16-6-2)18(3)34-28(37)20-9-12-22(24(17-20)30(39)40)23-13-14-25(42-4)36-26(23)29(38)35-21-10-7-19(8-11-21)27(32)33/h7-14,17-18,41H,5-6,15-16H2,1-4H3,(H3,32,33)(H,34,37)(H,35,38)(H,39,40)