Chem
J-GLOBAL ID：201007010128185948   Nikkaji number：J2.805.663J

Fistularin 2

フィツラリン2
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： C22H21Br4N3O8
Molecular formula furigana： C22-H21-BR4-N3-O8
Molecular weight： 775.039
InChI： InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-7-15(30)9-2-11(23)17(12(24)3-9)35-8-10-6-28-21(33)36-10/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)
InChI key： WKUSHGVKGFQCSJ-UHFFFAOYSA-N
SMILES： COC1=C(Br)C(O)C2(CC(=NO2)C(=O)NCC(O)c2cc(Br)c(OCC3CNC(=O)O3)c(Br)c2)C=C1Br
Systematic name  (4)：
  • 7,9-ジブロモ-N-[2-[3,5-ジブロモ-4-[(2-オキソ-5-オキサゾリジニル)メトキシ]フェニル]-2-ヒドロキシエチル]-10-ヒドロキシ-8-メトキシ-1-オキサ-2-アザスピロ[4.5]デカ-2,6,8-トリエン-3-カルボアミド
  • N-(2-ヒドロキシ-2-(3,5-ジブロモ-4-((2-オキソテトラヒドロオキサゾール-5-イル)メトキシ)フェニル)エチル)-2′-ヒドロキシ-3′,5′-ジブロモ-4′-メトキシスピロ[イソオキサゾール-5(4H),1′-シクロヘキサン]-3′,5′-ジエン-3-カルボアミド
  • 7,9-ジブロモ-N-(2-{3,5-ジブロモ-4-[(2-オキソ-1,3-オキサゾリジン-5-イル)メトキシ]フェニル}-2-ヒドロキシエチル)-10-ヒドロキシ-8-メトキシ-1-オキサ-2-アザスピロ[4.5]デカ-2,6,8-トリエン-3-カルボキサミド
  • 7,9-dibromo-N-(2-{3,5-dibromo-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]phenyl}-2-hydroxyethyl)-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
Other name (4)：
  • 7,9-Dibromo-N-[2-[3,5-dibromo-4-[(2-oxo-5-oxazolidinyl)methoxy]phenyl]-2-hydroxyethyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
  • Fistularin 2
  • フィツラリン2
  • N-(2-Hydroxy-2-(3,5-dibromo-4-((2-oxotetrahydrooxazole-5-yl)methoxy)phenyl)ethyl)-2′-hydroxy-3′,5′-dibromo-4′-methoxyspiro[isoxazole-5(4H),1′-cyclohexane]-3′,5′-diene-3-carboxamide
CAS registry number： 73622-21-6
KEGG COMPOUND： C17161
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