Chem
J-GLOBAL ID：200907025221545993   Nikkaji number：J1.491.817E

3,7,11-Tris[2-(2,3-dihydroxybenzoylamino)acetylamino]-4,8,12-trimethyl-1,5,9-trioxacyclododecane-2,6,10-trione

3,7,11-トリス[2-(2,3-ジヒドロキシベンゾイルアミノ)アセチルアミノ]-4,8,12-トリメチル-1,5,9-トリオキサシクロドデカン-2,6,10-トリオン
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： C39H42N6O18
Molecular formula furigana： C39-H42-N6-O18
Molecular weight： 882.789
InChI： InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)
InChI key： RCQTVEFBFUNTGM-UHFFFAOYSA-N
SMILES： CC1OC(=O)C(NC(=O)CNC(=O)c2cccc(O)c2O)C(C)OC(=O)C(NC(=O)CNC(=O)c2cccc(O)c2O)C(C)OC(=O)C1NC(=O)CNC(=O)c1cccc(O)c1O
Systematic name  (3)：
  • 3,7,11-トリス[2-(2,3-ジヒドロキシベンゾイルアミノ)アセチルアミノ]-4,8,12-トリメチル-1,5,9-トリオキサシクロドデカン-2,6,10-トリオン
  • N-[7,11-ビス({2-[(2,3-ジヒドロキシフェニル)ホルムアミド]アセトアミド})-2,6,10-トリメチル-4,8,12-トリオキソ-1,5,9-トリオキサシクロドデカン-3-イル]-2-[(2,3-ジヒドロキシフェニル)ホルムアミド]アセトアミド
  • N-[7,11-bis({2-[(2,3-dihydroxyphenyl)formamido]acetamido})-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododecan-3-yl]-2-[(2,3-dihydroxyphenyl)formamido]acetamide
Other name (1)：
  • 3,7,11-Tris[2-(2,3-dihydroxybenzoylamino)acetylamino]-4,8,12-trimethyl-1,5,9-trioxacyclododecane-2,6,10-trione
Thsaurus map：
Thesaurus Map

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