Chem
J-GLOBAL ID:200907078406943100
Nikkaji number:J1.952.522H
1-Tosyl-7-[[(αS)-α-(tert-butyldimethylsiloxymethyl)-3-bromo-4-(tert-butyldimethylsiloxy)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-(tert-ブチルジメチルシロキシ)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
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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:
C38 H52 BrN3 O5 SSi2
Molecular formula furigana:
C38-H52-BR-N3-O5-S-SI2
Molecular weight:
798.980
InChI:
InChI=1S/C38H52BrN3O5SSi2/c1-25-12-15-29(16-13-25)48(44,45)42-23-27-18-19-40-31-22-32(36(43)35(42)34(27)31)41-28(24-46-49(8,9)37(2,3)4)20-26-14-17-33(30(39)21-26)47-50(10,11)38(5,6)7/h12-17,21-23,28,41H,18-20,24H2,1-11H3/t28-/m0/s1
InChI key:
XGTUBVAIBZSGLI-NDEPHWFRSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc2CCN=C3C=C(N[C@H](CO[Si](C)(C)C(C)(C)C)Cc4ccc(O[Si](C)(C)C(C)(C)C)c(Br)c4)C(=O)c1c23
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-(tert-ブチルジメチルシロキシ)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-[(tert-ブチルジメチルシリル)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-[(tert-butyldimethylsilyl)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-(tert-butyldimethylsiloxy)phenethyl]amino]-1,3,4,8-tetrahydropyrrolo[4,3,2-de]quinoline-8-one
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