3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-6-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-6-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-6-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-6-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-6-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]picolinic acid Formula: C27H30N6O6 MolecularWeight: 534.5637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O6/c1-27(2,3)19(13-34)32-24(35)18-11-9-17(22(31-18)26(37)38)16-10-12-20(39-4)33-21(16)25(36)30-15-7-5-14(6-8-15)23(28)29/h5-12,19,34H,13H2,1-4H3,(H3,28,29)(H,30,36)(H,32,35)(H,37,38)