6-azanyl-4-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-6-cyclobutylimino-1-oxidanyl-pyridin-3-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-azanyl-4-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-6-cyclobutylimino-1-oxidanyl-pyridin-3-yl]pyridine-2-carboxylic acid Openeye Name: 6-amino-4-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-6-cyclobutylimino-1-hydroxy-3-pyridyl]pyridine-2-carboxylic acid CAS Name: 6-amino-4-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-cyclobutylimino-1-hydroxy-3-pyridinyl]-2-pyridinecarboxylic acid IUPAC Name: 6-amino-4-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-cyclobutylimino-1-hydroxypyridin-3-yl]pyridine-2-carboxylic acid Traditional Name: 4-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-6-cyclobutylimino-1-hydroxy-3-pyridyl]-6-amino-picolinic acid Formula: C25H27N7O4 MolecularWeight: 489.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N=C2C=CC(=C(N2O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=NC(=C4)N)C(=O)O

Isomeric SMILES

C1CC(C1)N=C2C=CC(=C(N2O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=NC(=C4)N)C(=O)O

InChI

InChI=1S/C25H27N7O4/c26-21-11-16(10-19(31-21)25(34)35)18-8-9-22(30-17-2-1-3-17)32(36)20(18)12-23(33)29-13-14-4-6-15(7-5-14)24(27)28/h4-11,17,36H,1-3,12-13H2,(H2,26,31)(H3,27,28)(H,29,33)(H,34,35)