3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-6-cyclobutylimino-1-oxidanyl-pyridin-3-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-6-cyclobutylimino-1-oxidanyl-pyridin-3-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-6-cyclobutylimino-1-hydroxy-3-pyridyl]benzoic acid CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-cyclobutylimino-1-hydroxy-3-pyridinyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-cyclobutylimino-1-hydroxypyridin-3-yl]benzoic acid Traditional Name: 3-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-6-cyclobutylimino-1-hydroxy-3-pyridyl]-5-amino-benzoic acid Formula: C26H28N6O4 MolecularWeight: 488.53832

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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(=CC(=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(=CC(=C4)N)C(=O)O

InChI

InChI=1S/C26H28N6O4/c27-19-11-17(10-18(12-19)26(34)35)21-8-9-23(31-20-2-1-3-20)32(36)22(21)13-24(33)30-14-15-4-6-16(7-5-15)25(28)29/h4-12,20,36H,1-3,13-14,27H2,(H3,28,29)(H,30,33)(H,34,35)