Chem
J-GLOBAL ID：200907027308550520   Nikkaji number：J1.630.714I

(3R)-3α,3′α-Dibenzyl-6,6′-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

(3R)-3α,3′α-ジベンジル-6,6′-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： C54H48N6O4
Molecular formula furigana： C54-H48-N6-O4
Molecular weight： 845.016
InChI： InChI=1S/C54H48N6O4/c61-47-45-31-53(39-25-13-15-27-43(39)57(33-37-21-9-3-10-22-37)51(53)59(45)49(63)41(55-47)29-35-17-5-1-6-18-35)54-32-46-48(62)56-42(30-36-19-7-2-8-20-36)50(64)60(46)52(54)58(34-38-23-11-4-12-24-38)44-28-16-14-26-40(44)54/h1-28,41-42,45-46,51-52H,29-34H2,(H,55,61)(H,56,62)/t41-,42-,45-,46-,51+,52+,53-,54-/m1/s1
InChI key： MDXYHAQSCPDRIG-BJJGNAQISA-N
SMILES： O=C1N[C@H](Cc2ccccc2)C(=O)N2[C@@H]1C[C@@]1([C@H]2N(Cc2ccccc2)c2ccccc12)[C@@]12C[C@H]3N([C@@H]1N(Cc1ccccc1)c1ccccc21)C(=O)[C@@H](Cc1ccccc1)NC3=O
Systematic name  (3)：
  • (3R)-3α,3′α-ジベンジル-6,6′-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)-4,16-ジベンジル-9-[(1S,4R,7R,9S)-4,16-ジベンジル-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)-4,16-dibenzyl-9-[(1S,4R,7R,9S)-4,16-dibenzyl-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 (1)：
  • (3R)-3α,3′α-Dibenzyl-6,6′-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
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