Chem
J-GLOBAL ID：200907014239212450   Nikkaji number：J2.043.627A

(1S,3aβ,6aβ)-N-[(1R)-1-[1,2-Dioxo-2-(cyclopropylamino)ethyl]-3,3-difluoropropyl]-2-[N-(pyrazine-2-ylcarbonyl)-L-Val-L-Val-]octahydrocyclopenta[c]pyrrole-1β-carboxamide

(1S,3aβ,6aβ)-N-[(1R)-1-[1,2-ジオキソ-2-(シクロプロピルアミノ)エチル]-3,3-ジフルオロプロピル]-2-[N-(ピラジン-2-イルカルボニル)-L-Val-L-Val-]オクタヒドロシクロペンタ[c]ピロール-1β-カルボアミド
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： C31H43F2N7O6
Molecular formula furigana： C31-H43-F2-N7-O6
Molecular weight： 647.725
InChI： InChI=1S/C31H43F2N7O6/c1-15(2)23(38-27(42)21-13-34-10-11-35-21)28(43)39-24(16(3)4)31(46)40-14-17-6-5-7-19(17)25(40)29(44)37-20(12-22(32)33)26(41)30(45)36-18-8-9-18/h10-11,13,15-20,22-25H,5-9,12,14H2,1-4H3,(H,36,45)(H,37,44)(H,38,42)(H,39,43)/t17-,19-,20+,23-,24-,25-/m0/s1
InChI key： HYVLYYPWCWLTTF-QWHMUSGTSA-N
SMILES： CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@H](CC(F)F)C(=O)C(=O)NC1CC1
Systematic name  (3)：
  • (1S,3aβ,6aβ)-N-[(1R)-1-[1,2-ジオキソ-2-(シクロプロピルアミノ)エチル]-3,3-ジフルオロプロピル]-2-[N-(ピラジン-2-イルカルボニル)-L-Val-L-Val-]オクタヒドロシクロペンタ[c]ピロール-1β-カルボアミド
  • (3R)-3-{[(1S,3aR,6aS)-2-[(2S)-3-メチル-2-[(2S)-3-メチル-2-[(ピラジン-2-イル)ホルムアミド]ブタンアミド]ブタノイル]-オクタヒドロシクロペンタ[c]ピロール-1-イル]ホルムアミド}-N-シクロプロピル-5,5-ジフルオロ-2-オキソペンタンアミド
  • (3R)-3-{[(1S,3aR,6aS)-2-[(2S)-3-methyl-2-[(2S)-3-methyl-2-[(pyrazin-2-yl)formamido]butanamido]butanoyl]-octahydrocyclopenta[c]pyrrol-1-yl]formamido}-N-cyclopropyl-5,5-difluoro-2-oxopentanamide
Other name (1)：
  • (1S,3aβ,6aβ)-N-[(1R)-1-[1,2-Dioxo-2-(cyclopropylamino)ethyl]-3,3-difluoropropyl]-2-[N-(pyrazine-2-ylcarbonyl)-L-Val-L-Val-]octahydrocyclopenta[c]pyrrole-1β-carboxamide
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