3-[[(4R,5R,6R)-6-[2-[3,4-bis(fluoranyl)phenyl]ethyl]-4-[[3,4-bis(fluoranyl)phenyl]methyl]-5-oxidanyl-3-[[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methyl]-2-oxidanylidene-1,3-diazinan-1-yl]methyl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 3-[[(4R,5R,6R)-6-[2-[3,4-bis(fluoranyl)phenyl]ethyl]-4-[[3,4-bis(fluoranyl)phenyl]methyl]-5-oxidanyl-3-[[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methyl]-2-oxidanylidene-1,3-diazinan-1-yl]methyl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 3-[[(4R,5R,6R)-6-[2-(3,4-difluorophenyl)ethyl]-4-[(3,4-difluorophenyl)methyl]-5-hydroxy-3-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-oxo-hexahydropyrimidin-1-yl]methyl]-N'-hydroxy-benzamidine CAS Name: 3-[[(4R,5R,6R)-3-[[3-[(E)-amino(hydroxyimino)methyl]phenyl]methyl]-6-[2-(3,4-difluorophenyl)ethyl]-4-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-oxo-1,3-diazinan-1-yl]methyl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 3-[[(4R,5R,6R)-6-[2-(3,4-difluorophenyl)ethyl]-4-[(3,4-difluorophenyl)methyl]-5-hydroxy-3-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]-2-oxo-1,3-diazinan-1-yl]methyl]-N'-hydroxybenzenecarboximidamide Traditional Name: 3-[[(4R,5R,6R)-3-[3-[(E)-aminocarbohydroximoyl]benzyl]-4-(3,4-difluorobenzyl)-6-[2-(3,4-difluorophenyl)ethyl]-5-hydroxy-2-keto-hexahydropyrimidin-1-yl]methyl]-N'-hydroxy-benzamidine Formula: C35H34F4N6O4 MolecularWeight: 678.675873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(C(C(N(C2=O)CC3=CC=CC(=C3)C(=NO)N)CC4=CC(=C(C=C4)F)F)O)CCC5=CC(=C(C=C5)F)F)C(=NO)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2[C@@H]([C@H]([C@H](N(C2=O)CC3=CC=CC(=C3)/C(=N\O)/N)CC4=CC(=C(C=C4)F)F)O)CCC5=CC(=C(C=C5)F)F)/C(=N/O)/N

InChI

InChI=1S/C35H34F4N6O4/c36-26-10-7-20(15-28(26)38)9-12-30-32(46)31(17-21-8-11-27(37)29(39)16-21)45(19-23-4-2-6-25(14-23)34(41)43-49)35(47)44(30)18-22-3-1-5-24(13-22)33(40)42-48/h1-8,10-11,13-16,30-32,46,48-49H,9,12,17-19H2,(H2,40,42)(H2,41,43)/t30-,31-,32-/m1/s1