Chem
J-GLOBAL ID:200907041962931357   Nikkaji number:J1.615.409A

7-Hexadecanoyl-16-[4-[bis[2-(2-pyridyl)ethyl]aminomethyl]benzyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7-ヘキサデカノイル-16-[4-[ビス[2-(2-ピリジル)エチル]アミノメチル]ベンジル]-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン
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: C50H79N5O5
Molecular formula furigana: C50-H79-N5-O5
Molecular weight: 830.212
InChI: InChI=1S/C50H79N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-50(56)55-34-38-59-42-40-57-36-32-54(33-37-58-41-43-60-39-35-55)45-47-24-22-46(23-25-47)44-53(30-26-48-19-15-17-28-51-48)31-27-49-20-16-18-29-52-49/h15-20,22-25,28-29H,2-14,21,26-27,30-45H2,1H3
InChI key: ADYUSLNOKNEHKP-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)N1CCOCCOCCN(Cc2ccc(CN(CCc3ccccn3)CCc3ccccn3)cc2)CCOCCOCC1
Systematic name  (3):
  • 7-ヘキサデカノイル-16-[4-[ビス[2-(2-ピリジル)エチル]アミノメチル]ベンジル]-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン
  • 1-(16-{[4-({ビス[2-(ピリジン-2-イル)エチル]アミノ}メチル)フェニル]メチル}-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン-7-イル)ヘキサデカン-1-オン
  • 1-(16-{[4-({bis[2-(pyridin-2-yl)ethyl]amino}methyl)phenyl]methyl}-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)hexadecan-1-one
Other name (1):
  • 7-Hexadecanoyl-16-[4-[bis[2-(2-pyridyl)ethyl]aminomethyl]benzyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
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