Chem
J-GLOBAL ID：201507002923400797   Nikkaji number：J3.400.222C

JBIR-22

(2S)-2-ヒドロキシ-2-[[(2S)-1-メチル-4-[[(1S)-2β-メチル-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1β-イル](ヒドロキシ)メチレン]-3,5-ジオキソピロリジン-2β-イル]メチル]-3-メチルブタン酸
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： C23H33NO6
Molecular formula furigana： C23-H33-N-O6
Molecular weight： 419.518
InChI： InChI=1S/C23H33NO6/c1-12(2)23(30,22(28)29)11-16-19(25)18(21(27)24(16)4)20(26)17-13(3)9-10-14-7-5-6-8-15(14)17/h9-10,12-17,26,30H,5-8,11H2,1-4H3,(H,28,29)/t13-,14+,15-,16-,17-,23-/m0/s1
InChI key： DIFKWHRMEGFLSD-IAUVJCGVSA-N
SMILES： CC(C)[C@@](O)(C[C@@H]1N(C)C(=O)C(=C(O)[C@H]2[C@@H](C)C=C[C@H]3CCCC[C@H]23)C1=O)C(=O)O
Systematic name  (3)：
  • (2S)-2-ヒドロキシ-2-[[(2S)-1-メチル-4-[[(1S)-2β-メチル-1,2,4aα,5,6,7,8,8aβ-オクタヒドロナフタレン-1β-イル](ヒドロキシ)メチレン]-3,5-ジオキソピロリジン-2β-イル]メチル]-3-メチルブタン酸
  • (2S)-2-{[(2S)-4-{[(1S,2S,4aR,8aS)-2-メチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル](ヒドロキシ)メチリデン}-1-メチル-3,5-ジオキソピロリジン-2-イル]メチル}-2-ヒドロキシ-3-メチルブタン酸
  • (2S)-2-{[(2S)-4-{[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl}-2-hydroxy-3-methylbutanoic acid
Other name (2)：
  • (2S)-2-Hydroxy-2-[[(2S)-1-methyl-4-[[(1S)-2β-methyl-1,2,4aα,5,6,7,8,8aβ-octahydronaphthalene-1β-yl](hydroxy)methylene]-3,5-dioxopyrrolidine-2β-yl]methyl]-3-methylbutanoic acid
  • JBIR-22
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