Chem
J-GLOBAL ID:200907090349433850   Nikkaji number:J1.952.523F

1-Tosyl-7-[[(αS)-α-(tert-butyldimethylsiloxymethyl)-3-bromo-4-(triisopropylsiloxy)phenethyl]amino]-1,3,4,8-tetrahydropyrrolo[4,3,2-de]quinoline-8-one

1-トシル-7-[[(αS)-α-(tert-ブチルジメチルシロキシメチル)-3-ブロモ-4-(トリイソプロピルシロキシ)フェネチル]アミノ]-1,3,4,8-テトラヒドロピロロ[4,3,2-de]キノリン-8-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: C41H58BrN3O5SSi2
Molecular formula furigana: C41-H58-BR-N3-O5-S-SI2
Molecular weight: 841.070
InChI: InChI=1S/C41H58BrN3O5SSi2/c1-26(2)53(27(3)4,28(5)6)50-37-18-15-30(22-34(37)42)21-32(25-49-52(11,12)41(8,9)10)44-36-23-35-38-31(19-20-43-35)24-45(39(38)40(36)46)51(47,48)33-16-13-29(7)14-17-33/h13-18,22-24,26-28,32,44H,19-21,25H2,1-12H3/t32-/m0/s1
InChI key: XYOULNZRYJBCIH-YTTGMZPUSA-N
SMILES: CC(C)[Si](Oc1ccc(C[C@@H](CO[Si](C)(C)C(C)(C)C)NC2=CC3=NCCc4cn(c(c34)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1Br)(C(C)C)C(C)C
Systematic name  (3):
  • 1-トシル-7-[[(αS)-α-(tert-ブチルジメチルシロキシメチル)-3-ブロモ-4-(トリイソプロピルシロキシ)フェネチル]アミノ]-1,3,4,8-テトラヒドロピロロ[4,3,2-de]キノリン-8-オン
  • 10-{[(2S)-1-(3-ブロモ-4-{[トリス(プロパン-2-イル)シリル]オキシ}フェニル)-3-[(tert-ブチルジメチルシリル)オキシ]プロパン-2-イル]アミノ}-2-(4-メチルベンゼンスルホニル)-2,7-ジアザトリシクロ[6.3.1.04,12]ドデカ-1(12),3,7,9-テトラエン-11-オン
  • 10-{[(2S)-1-(3-bromo-4-{[tris(propan-2-yl)silyl]oxy}phenyl)-3-[(tert-butyldimethylsilyl)oxy]propan-2-yl]amino}-2-(4-methylbenzenesulfonyl)-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one
Other name (1):
  • 1-Tosyl-7-[[(αS)-α-(tert-butyldimethylsiloxymethyl)-3-bromo-4-(triisopropylsiloxy)phenethyl]amino]-1,3,4,8-tetrahydropyrrolo[4,3,2-de]quinoline-8-one
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