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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H27N5O4/c1-14(2)13-29-24(32)17-7-11-19(21(12-17)26(34)35)20-10-4-15(3)30-22(20)25(33)31-18-8-5-16(6-9-18)23(27)28/h4-12,14H,13H2,1-3H3,(H3,27,28)(H,29,32)(H,31,33)(H,34,35)