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

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-6-cyclobutylimino-1-oxidanyl-pyridin-3-yl]-N-(phenylmethyl)benzamide Openeye Name: 3-amino-N-benzyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-6-cyclobutylimino-1-hydroxy-3-pyridyl]benzamide CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-cyclobutylimino-1-hydroxy-3-pyridinyl]-N-(phenylmethyl)benzamide IUPAC Name: 3-amino-N-benzyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-6-cyclobutylimino-1-hydroxypyridin-3-yl]benzamide Traditional Name: 3-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-6-cyclobutylimino-1-hydroxy-3-pyridyl]-5-amino-N-benzyl-benzamide Formula: C33H35N7O3 MolecularWeight: 577.6761

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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)NCC5=CC=CC=C5

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)NCC5=CC=CC=C5

InChI

InChI=1S/C33H35N7O3/c34-26-16-24(15-25(17-26)33(42)38-20-21-5-2-1-3-6-21)28-13-14-30(39-27-7-4-8-27)40(43)29(28)18-31(41)37-19-22-9-11-23(12-10-22)32(35)36/h1-3,5-6,9-17,27,43H,4,7-8,18-20,34H2,(H3,35,36)(H,37,41)(H,38,42)