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
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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:
C64 H68 N4
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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