Chem
J-GLOBAL ID：201907011291310876   Nikkaji number：J3.740.366K

KAG-308

KAG-308
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： C24H30F2N4O3
Molecular formula furigana： C24-H30-F2-N4-O3
Molecular weight： 460.526
InChI： InChI=1S/C24H30F2N4O3/c1-14-6-5-7-16(12-14)15(2)18(31)11-10-17-19(32)13-20-23(17)24(25,26)21(33-20)8-3-4-9-22-27-29-30-28-22/h5-8,10-12,15,17-20,23,31-32H,3-4,9,13H2,1-2H3,(H,27,28,29,30)/b11-10+,21-8-/t15-,17+,18-,19-,20+,23-/m1/s1
InChI key： KSELABKNBIUMGG-YGBAREPYSA-N
SMILES： O1/C(=C\CCCc2[nH]nnn2)/C([C@H]2[C@@H]1C[C@H]([C@@H]2/C=C/[C@H]([C@H](C)c1cc(ccc1)C)O)O)(F)F
Systematic name  (3)：
  • (2Z,3aR,4R,5R,6aS)-3,3-ジフルオロ-4-[(1E,3R,4R)-3-ヒドロキシ-4-(3-メチルフェニル)-1-ペンテン-1-イル]-2-[4-(1H-テトラゾール-5-イル)ブチリデン]ヘキサヒドロ-2H-シクロペンタ[b]フラン-5-オール
  • (2Z,3aR,4R,5R,6aS)-3,3-ジフルオロ-4-[(1E,3R,4R)-3-ヒドロキシ-4-(3-メチルフェニル)ペンタ-1-エン-1-イル]-2-[4-(1H-1,2,3,4-テトラゾール-5-イル)ブチリデン]-ヘキサヒドロ-2H-シクロペンタ[b]フラン-5-オール
  • (2Z,3aR,4R,5R,6aS)-3,3-difluoro-4-[(1E,3R,4R)-3-hydroxy-4-(3-methylphenyl)pent-1-en-1-yl]-2-[4-(1H-1,2,3,4-tetrazol-5-yl)butylidene]-hexahydro-2H-cyclopenta[b]furan-5-ol
Other name (1)：
  • KAG-308
Thsaurus map：
Thesaurus Map

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