Chem
J-GLOBAL ID：200907097287298041   Nikkaji number：J1.630.720C

ent-Win-64821

(3R)-3α,3′α-ジベンジル-2,2′,3,3′,5aβ,5a′β,6,6′,11,11′,11aβ,11a′β-ドデカヒドロ-10bβ,10b′β-ビ[10bH-ピラジノ[1′,2′:1,5]ピロロ[2,3-b]インドール]-1,1′,4,4′-テトラオン
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： C40H36N6O4
Molecular formula furigana： C40-H36-N6-O4
Molecular weight： 664.766
InChI： InChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30-,31-,32-,37+,38+,39-,40-/m1/s1
InChI key： ZEANERNKMXBETI-VWTCNYRKSA-N
SMILES： O=C1N[C@H](Cc2ccccc2)C(=O)N2[C@@H]1C[C@@]1([C@H]2Nc2ccccc12)[C@@]12C[C@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@@H](Cc1ccccc1)NC3=O
Systematic name  (3)：
  • (3R)-3α,3′α-ジベンジル-2,2′,3,3′,5aβ,5a′β,6,6′,11,11′,11aβ,11a′β-ドデカヒドロ-10bβ,10b′β-ビ[10bH-ピラジノ[1′,2′:1,5]ピロロ[2,3-b]インドール]-1,1′,4,4′-テトラオン
  • (1S,4R,7R,9S)-4-ベンジル-9-[(1S,4R,7R,9S)-4-ベンジル-3,6-ジオキソ-2,5,16-トリアザテトラシクロ[7.7.0.02,7.010,15]ヘキサデカ-10,12,14-トリエン-9-イル]-2,5,16-トリアザテトラシクロ[7.7.0.02,7.010,15]ヘキサデカ-10,12,14-トリエン-3,6-ジオン
  • (1S,4R,7R,9S)-4-benzyl-9-[(1S,4R,7R,9S)-4-benzyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Other name (2)：
  • (3R)-3α,3′α-Dibenzyl-2,2′,3,3′,5aβ,5a′β,6,6′,11,11′,11aβ,11a′β-dodecahydro-10bβ,10b′β-bi[10bH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole]-1,1′,4,4′-tetrone
  • ent-Win-64821
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