Chem
J-GLOBAL ID:200907050257302218   Nikkaji number:J1.797.540D

N-[(3R)-2-(Methoxyimino)-3-(3,4-dichlorophenyl)-5-[4-[2-oxo-3-[2-(hydroxyimino)-2-aminoethyl]hexahydropyrimidine-1-yl]piperidino]pentyl]-N-methyl-3,5-dichlorobenzamide

N-[(3R)-2-(メトキシイミノ)-3-(3,4-ジクロロフェニル)-5-[4-[2-オキソ-3-[2-(ヒドロキシイミノ)-2-アミノエチル]ヘキサヒドロピリミジン-1-イル]ピペリジノ]ペンチル]-N-メチル-3,5-ジクロロベンズアミド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C31H39Cl4N7O4
Molecular formula furigana: C31-H39-CL4-N7-O4
Molecular weight: 715.500
InChI: InChI=1S/C31H39Cl4N7O4/c1-39(30(43)21-14-22(32)17-23(33)15-21)18-28(38-46-2)25(20-4-5-26(34)27(35)16-20)8-13-40-11-6-24(7-12-40)42-10-3-9-41(31(42)44)19-29(36)37-45/h4-5,14-17,24-25,45H,3,6-13,18-19H2,1-2H3,(H2,36,37)/t25-/m1/s1
InChI key: WBTKINCCINTBEY-RUZDIDTESA-N
SMILES: CON=C(CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCN(CC(=NO)N)C1=O)c1ccc(Cl)c(Cl)c1
Systematic name  (3):
  • N-[(3R)-2-(メトキシイミノ)-3-(3,4-ジクロロフェニル)-5-[4-[2-オキソ-3-[2-(ヒドロキシイミノ)-2-アミノエチル]ヘキサヒドロピリミジン-1-イル]ピペリジノ]ペンチル]-N-メチル-3,5-ジクロロベンズアミド
  • 3,5-ジクロロ-N-[(3R)-3-(3,4-ジクロロフェニル)-5-(4-{3-[(N'-ヒドロキシカルバムイミドイル)メチル]-2-オキソ-1,3-ジアジナン-1-イル}ピペリジン-1-イル)-2-(メトキシイミノ)ペンチル]-N-メチルベンズアミド
  • 3,5-dichloro-N-[(3R)-3-(3,4-dichlorophenyl)-5-(4-{3-[(N'-hydroxycarbamimidoyl)methyl]-2-oxo-1,3-diazinan-1-yl}piperidin-1-yl)-2-(methoxyimino)pentyl]-N-methylbenzamide
Other name (1):
  • N-[(3R)-2-(Methoxyimino)-3-(3,4-dichlorophenyl)-5-[4-[2-oxo-3-[2-(hydroxyimino)-2-aminoethyl]hexahydropyrimidine-1-yl]piperidino]pentyl]-N-methyl-3,5-dichlorobenzamide
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