Chem
J-GLOBAL ID：200907023067542533   Nikkaji number：J1.540.530I

1,3-Bis[3,5-bis[6-(butanoylamino)-2-pyridinylcarbamoyl]phenoxy]propane

1,3-ビス[3,5-ビス[6-(ブタノイルアミノ)-2-ピリジニルカルバモイル]フェノキシ]プロパン
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： C55H60N12O10
Molecular formula furigana： C55-H60-N12-O10
Molecular weight： 1049.159
InChI： InChI=1S/C55H60N12O10/c1-5-14-48(68)60-40-18-9-22-44(56-40)64-52(72)34-28-35(53(73)65-45-23-10-19-41(57-45)61-49(69)15-6-2)31-38(30-34)76-26-13-27-77-39-32-36(54(74)66-46-24-11-20-42(58-46)62-50(70)16-7-3)29-37(33-39)55(75)67-47-25-12-21-43(59-47)63-51(71)17-8-4/h9-12,18-25,28-33H,5-8,13-17,26-27H2,1-4H3,(H2,56,60,64,68,72)(H2,57,61,65,69,73)(H2,58,62,66,70,74)(H2,59,63,67,71,75)
InChI key： DGIIEFJSXPGLBO-UHFFFAOYSA-N
SMILES： CCCC(=O)Nc1cccc(NC(=O)c2cc(OCCCOc3cc(cc(c3)C(=O)Nc3cccc(NC(=O)CCC)n3)C(=O)Nc3cccc(NC(=O)CCC)n3)cc(c2)C(=O)Nc2cccc(NC(=O)CCC)n2)n1
Systematic name  (7)：
  • N,N′-ビス[6-(ブタノイルアミノ)-2-ピリジル]-5-[3-[3,5-ビス[[6-(ブタノイルアミノ)-2-ピリジル]カルバモイル]フェノキシ]プロポキシ]イソフタルアミド
  • 5,5′-(トリメチレンビスオキシ)ビス[N,N′-ビス[6-(ブタノイルアミノ)-2-ピリジル]イソフタルアミド]
  • 5,5′-(トリメチレンビスオキシ)ビス[N,N′-ビス[6-(ブタノイルアミノ)-2-ピリジニル]イソフタルアミド]
  • 1,3-ビス[3,5-ビス[6-(ブタノイルアミノ)-2-ピリジニルカルバモイル]フェノキシ]プロパン
  • 5,5′-(トリメチレンビスオキシ)ビス[N,N′-ビス[6-(ブチリルアミノ)-2-ピリジル]-1,3-ベンゼンジカルボアミド]
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Other name (5)：
  • N,N′-Bis[6-(butanoylamino)-2-pyridyl]-5-[3-[3,5-bis[[6-(butanoylamino)-2-pyridyl]carbamoyl]phenoxy]propoxy]isophthalamide
  • 5,5′-(Trimethylenebisoxy)bis[N,N′-bis[6-(butanoylamino)-2-pyridyl]isophthalamide]
  • 5,5′-(Trimethylenebisoxy)bis[N,N′-bis[6-(butanoylamino)-2-pyridinyl]isophthalamide]
  • 1,3-Bis[3,5-bis[6-(butanoylamino)-2-pyridinylcarbamoyl]phenoxy]propane
  • 5,5′-(Trimethylenebisoxy)bis[N,N′-bis[6-(butyrylamino)-2-pyridyl]-1,3-benzenedicarboxamide]
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