3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-6-(3,3-dimethylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-6-(3,3-dimethylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-6-(1,2,2-trimethylpropylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-6-[(3,3-dimethylbutan-2-ylamino)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-6-(3,3-dimethylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-6-(1,2,2-trimethylpropylcarbamoyl)picolinic acid Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)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)C)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/C27H30N6O5/c1-14(27(2,3)4)30-24(34)19-12-10-18(22(32-19)26(36)37)17-11-13-20(38-5)33-21(17)25(35)31-16-8-6-15(7-9-16)23(28)29/h6-14H,1-5H3,(H3,28,29)(H,30,34)(H,31,35)(H,36,37)