5-[(2-azanyl-3-methyl-butyl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoic acid

Systemtic Name: 5-[(2-azanyl-3-methyl-butyl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoic acid Openeye Name: 5-[(2-amino-3-methyl-butyl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]benzoic acid CAS Name: 5-[[(2-amino-3-methylbutyl)amino]-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]benzoic acid IUPAC Name: 5-[(2-amino-3-methylbutyl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(2-amino-3-methyl-butyl)carbamoyl]benzoic acid Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=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)N

Isomeric SMILES

CC(C)C(CNC(=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)N

InChI

InChI=1S/C27H30N6O5/c1-14(2)21(28)13-31-25(34)16-6-9-18(20(12-16)27(36)37)19-10-11-22(38-3)33-23(19)26(35)32-17-7-4-15(5-8-17)24(29)30/h4-12,14,21H,13,28H2,1-3H3,(H3,29,30)(H,31,34)(H,32,35)(H,36,37)