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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(3-methyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-[[1-(hydroxymethyl)-2-methyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[[(1-hydroxy-3-methylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(1-hydroxy-3-methylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-[(2-methyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O5/c1-14(2)21(13-32)31-24(33)16-7-10-18(20(12-16)26(35)36)19-4-3-11-29-22(19)25(34)30-17-8-5-15(6-9-17)23(27)28/h3-12,14,21,32H,13H2,1-2H3,(H3,27,28)(H,30,34)(H,31,33)(H,35,36)