Chem
J-GLOBAL ID：201607005409980993   Nikkaji number：J3.463.013E

3-[1-(3-Biphenylylmethyl)-1H-1,2,3-triazole-4-ylmethyl(2,2-difluoro-5-oxo-5-aminopentyl)carbamoyl]-5-(1-heptyl-1H-1,2,3-triazole-4-ylmethylcarbamoyl)benzoic acid N′-(4-methoxybenzylidene) hydrazide

3-[1-(3-ビフェニリルメチル)-1H-1,2,3-トリアゾール-4-イルメチル(2,2-ジフルオロ-5-オキソ-5-アミノペンチル)カルバモイル]-5-(1-ヘプチル-1H-1,2,3-トリアゾール-4-イルメチルカルバモイル)安息香酸N′-(4-メトキシベンジリデン)ヒドラジド
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： C48H53F2N11O5
Molecular formula furigana： C48-H53-F2-N11-O5
Molecular weight： 902.021
InChI： InChI=1S/C48H53F2N11O5/c1-3-4-5-6-10-22-60-31-41(54-57-60)28-52-45(63)38-24-39(46(64)56-53-27-34-16-18-43(66-2)19-17-34)26-40(25-38)47(65)59(33-48(49,50)21-20-44(51)62)30-42-32-61(58-55-42)29-35-12-11-15-37(23-35)36-13-8-7-9-14-36/h7-9,11-19,23-27,31-32H,3-6,10,20-22,28-30,33H2,1-2H3,(H2,51,62)(H,52,63)(H,56,64)
InChI key： GHWFKAVJTJYZKT-UHFFFAOYSA-N
SMILES： CCCCCCCn1cc(CNC(=O)c2cc(cc(c2)C(=O)N(Cc2cn(Cc3cccc(c3)c3ccccc3)nn2)CC(F)(F)CCC(=O)N)C(=O)NN=Cc2ccc(OC)cc2)nn1
Systematic name  (3)：
  • 3-[1-(3-ビフェニリルメチル)-1H-1,2,3-トリアゾール-4-イルメチル(2,2-ジフルオロ-5-オキソ-5-アミノペンチル)カルバモイル]-5-(1-ヘプチル-1H-1,2,3-トリアゾール-4-イルメチルカルバモイル)安息香酸N′-(4-メトキシベンジリデン)ヒドラジド
  • N1-{[1-({[1,1'-ビフェニル]-3-イル}メチル)-1H-1,2,3-トリアゾール-4-イル]メチル}-N1-(4-カルバモイル-2,2-ジフルオロブチル)-N3-[(1-ヘプチル-1H-1,2,3-トリアゾール-4-イル)メチル]-5-{N'-[(4-メトキシフェニル)メチリデン]ヒドラジンカルボニル}ベンゼン-1,3-ジカルボキサミド
  • N1-{[1-({[1,1'-biphenyl]-3-yl}methyl)-1H-1,2,3-triazol-4-yl]methyl}-N1-(4-carbamoyl-2,2-difluorobutyl)-N3-[(1-heptyl-1H-1,2,3-triazol-4-yl)methyl]-5-{N'-[(4-methoxyphenyl)methylidene]hydrazinecarbonyl}benzene-1,3-dicarboxamide
Other name (1)：
  • 3-[1-(3-Biphenylylmethyl)-1H-1,2,3-triazole-4-ylmethyl(2,2-difluoro-5-oxo-5-aminopentyl)carbamoyl]-5-(1-heptyl-1H-1,2,3-triazole-4-ylmethylcarbamoyl)benzoic acid N′-(4-methoxybenzylidene) hydrazide
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