Chem
J-GLOBAL ID：200907003930062242   Nikkaji number：J570.435I

N-[4-[[[4-[[[2-(Acetylamino)ethyl]carbamoyl]methyl]phenyl]carbamoyl]methyl]phenyl]-5′-O-octanoyl-adenosine

N-[4-[[[4-[[[2-(アセチルアミノ)エチル]カルバモイル]メチル]フェニル]カルバモイル]メチル]フェニル]-5′-O-オクタノイル-アデノシン
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： C38H48N8O8
Molecular formula furigana： C38-H48-N8-O8
Molecular weight： 744.850
InChI： InChI=1S/C38H48N8O8/c1-3-4-5-6-7-8-32(50)53-21-29-34(51)35(52)38(54-29)46-23-43-33-36(41-22-42-37(33)46)45-28-15-11-26(12-16-28)20-31(49)44-27-13-9-25(10-14-27)19-30(48)40-18-17-39-24(2)47/h9-16,22-23,29,34-35,38,51-52H,3-8,17-21H2,1-2H3,(H,39,47)(H,40,48)(H,44,49)(H,41,42,45)/t29-,34-,35-,38-/m1/s1
InChI key： JYGIBPSBPMAPQN-UJTMRYLBSA-N
SMILES： CCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)C)cc4)cc3)ncnc12
Systematic name  (3)：
  • N-[4-[[[4-[[[2-(アセチルアミノ)エチル]カルバモイル]メチル]フェニル]カルバモイル]メチル]フェニル]-5′-O-オクタノイル-アデノシン
  • [(2R,3S,4R,5R)-5-{6-[(4-{[(4-{[(2-アセトアミドエチル)カルバモイル]メチル}フェニル)カルバモイル]メチル}フェニル)アミノ]-9H-プリン-9-イル}-3,4-ジヒドロキシオキソラン-2-イル]メチル オクタノアート
  • [(2R,3S,4R,5R)-5-{6-[(4-{[(4-{[(2-acetamidoethyl)carbamoyl]methyl}phenyl)carbamoyl]methyl}phenyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methyl octanoate
Other name (1)：
  • N-[4-[[[4-[[[2-(Acetylamino)ethyl]carbamoyl]methyl]phenyl]carbamoyl]methyl]phenyl]-5′-O-octanoyl-adenosine
Thsaurus map：
Thesaurus Map

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