Chem
J-GLOBAL ID：200907000615866857   Nikkaji number：J2.295.659K

1,9,17,25-Tetrakis[(S)-α-methylbenzyl]-3,7:11,15:19,23:27,31-tetrametheno-1,9,17,25-tetraazacyclodotriaconta-3,5,11,13,19,21,27,29-octaene

1,9,17,25-テトラキス[(S)-α-メチルベンジル]-3,7:11,15:19,23:27,31-テトラメテノ-1,9,17,25-テトラアザシクロドトリアコンタ-3,5,11,13,19,21,27,29-オクタエン
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： C64H68N4
Molecular formula furigana： C64-H68-N4
Molecular weight： 893.276
InChI： InChI=1S/C64H68N4/c1-49(61-29-9-5-10-30-61)65-41-53-21-17-23-55(37-53)43-66(50(2)62-31-11-6-12-32-62)45-57-25-19-27-59(39-57)47-68(52(4)64-35-15-8-16-36-64)48-60-28-20-26-58(40-60)46-67(51(3)63-33-13-7-14-34-63)44-56-24-18-22-54(38-56)42-65/h5-40,49-52H,41-48H2,1-4H3/t49-,50-,51-,52-/m0/s1
InChI key： WKNVBCWLVZDGMJ-CFOCFGCLSA-N
SMILES： C[C@H](N1Cc2cccc(CN(Cc3cccc(CN(Cc4cccc(CN(Cc5cccc(C1)c5)[C@@H](C)c1ccccc1)c4)[C@@H](C)c1ccccc1)c3)[C@@H](C)c1ccccc1)c2)c1ccccc1
Systematic name  (3)：
  • 1,9,17,25-テトラキス[(S)-α-メチルベンジル]-3,7:11,15:19,23:27,31-テトラメテノ-1,9,17,25-テトラアザシクロドトリアコンタ-3,5,11,13,19,21,27,29-オクタエン
  • 3,11,19,27-テトラキス[(1S)-1-フェニルエチル]-3,11,19,27-テトラアザペンタシクロ[27.3.1.15,9.113,17.121,25]ヘキサトリアコンタ-1(33),5,7,9(36),13,15,17(35),21,23,25(34),29,31-ドデカエン
  • 3,11,19,27-tetrakis[(1S)-1-phenylethyl]-3,11,19,27-tetraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5,7,9(36),13,15,17(35),21,23,25(34),29,31-dodecaene
Other name (1)：
  • 1,9,17,25-Tetrakis[(S)-α-methylbenzyl]-3,7:11,15:19,23:27,31-tetrametheno-1,9,17,25-tetraazacyclodotriaconta-3,5,11,13,19,21,27,29-octaene
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