2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-[(4-methyl-1-oxidanyl-pentan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[[1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]-5-[[(1-hydroxy-4-methylpentan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]-5-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[(3-methyl-1-methylol-butyl)carbamoyl]benzoic acid Formula: C28H31N5O5 MolecularWeight: 517.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H31N5O5/c1-15(2)12-20(14-34)33-26(35)18-7-11-21(23(13-18)28(37)38)22-10-4-16(3)31-24(22)27(36)32-19-8-5-17(6-9-19)25(29)30/h4-11,13,15,20,34H,12,14H2,1-3H3,(H3,29,30)(H,32,36)(H,33,35)(H,37,38)