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

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-chloranyl-6-cyclobutylimino-1-oxidanyl-pyridin-3-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-4-chloro-6-cyclobutylimino-1-hydroxy-3-pyridyl]benzoic acid CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclobutylimino-1-hydroxy-3-pyridinyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclobutylimino-1-hydroxypyridin-3-yl]benzoic acid Traditional Name: 3-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-4-chloro-6-cyclobutylimino-1-hydroxy-3-pyridyl]-5-amino-benzoic acid Formula: C26H27ClN6O4 MolecularWeight: 522.98338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN6O4/c27-20-11-22(32-19-2-1-3-19)33(37)21(24(20)16-8-17(26(35)36)10-18(28)9-16)12-23(34)31-13-14-4-6-15(7-5-14)25(29)30/h4-11,19,37H,1-3,12-13,28H2,(H3,29,30)(H,31,34)(H,35,36)