Chem
J-GLOBAL ID:200907010556479777   Nikkaji number:J1.674.481F

Nα,Nα′,Nα′′-[(5,11,17,23,29,35-Hexa-tert-butyl-38,40,42-trimethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,39,41-triyl)tris(oxy)tris(1-oxo-2,1-ethanediyl)]tris(N-octyl-L-leucinamide)

Nα,Nα′,Nα′′-[(5,11,17,23,29,35-ヘキサ-tert-ブチル-38,40,42-トリメトキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,39,41-トリイル)トリス(オキシ)トリス(1-オキソ-2,1-エタンジイル)]トリス(N-オクチル-L-ロイシンアミド)
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: C117H180N6O12
Molecular formula furigana: C117-H180-N6-O12
Molecular weight: 1862.757
InChI: InChI=1S/C117H180N6O12/c1-31-34-37-40-43-46-49-118-109(127)97(52-76(4)5)121-100(124)73-133-106-85-55-79-61-91(112(10,11)12)63-81(103(79)130-28)57-87-69-95(116(22,23)24)71-89(107(87)134-74-101(125)122-98(53-77(6)7)110(128)119-50-47-44-41-38-35-32-2)59-83-65-93(114(16,17)18)66-84(105(83)132-30)60-90-72-96(117(25,26)27)70-88(108(90)135-75-102(126)123-99(54-78(8)9)111(129)120-51-48-45-42-39-36-33-3)58-82-64-92(113(13,14)15)62-80(104(82)131-29)56-86(106)68-94(67-85)115(19,20)21/h61-72,76-78,97-99H,31-60,73-75H2,1-30H3,(H,118,127)(H,119,128)(H,120,129)(H,121,124)(H,122,125)(H,123,126)
InChI key: HXEKHEVKIXBITI-UHFFFAOYSA-N
SMILES: CCCCCCCCNC(=O)C(CC(C)C)NC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)C(C)(C)C)c7OC)C(C)(C)C)c6OCC(=O)NC(CC(C)C)C(=O)NCCCCCCCC)C(C)(C)C)c5OC)C(C)(C)C)c4OCC(=O)NC(CC(C)C)C(=O)NCCCCCCCC)C(C)(C)C)c3OC)C(C)(C)C
Systematic name  (3):
  • Nα,Nα′,Nα′′-[(5,11,17,23,29,35-ヘキサ-tert-ブチル-38,40,42-トリメトキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,39,41-トリイル)トリス(オキシ)トリス(1-オキソ-2,1-エタンジイル)]トリス(N-オクチル-L-ロイシンアミド)
  • 2-(2-{[5,11,17,23,29,35-ヘキサ-tert-ブチル-38,40,42-トリメトキシ-39,41-ビス({[3-メチル-1-(オクチルカルバモイル)ブチル]カルバモイル}メトキシ)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37-イル]オキシ}アセトアミド)-4-メチル-N-オクチルペンタンアミド
  • 2-(2-{[5,11,17,23,29,35-hexa-tert-butyl-38,40,42-trimethoxy-39,41-bis({[3-methyl-1-(octylcarbamoyl)butyl]carbamoyl}methoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaen-37-yl]oxy}acetamido)-4-methyl-N-octylpentanamide
Other name (1):
  • Nα,Nα′,Nα′′-[(5,11,17,23,29,35-Hexa-tert-butyl-38,40,42-trimethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,39,41-triyl)tris(oxy)tris(1-oxo-2,1-ethanediyl)]tris(N-octyl-L-leucinamide)
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