Chem
J-GLOBAL ID：200907089091410118   Nikkaji number：J2.043.631J

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

(1S,3aβ,6aβ)-N-[(1S)-1-[1,2-ジオキソ-2-[[(S)-sec-ブチル]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： C32H47F2N7O6
Molecular formula furigana： C32-H47-F2-N7-O6
Molecular weight： 663.768
InChI： InChI=1S/C32H47F2N7O6/c1-7-18(6)37-31(46)27(42)21(13-23(33)34)38-30(45)26-20-10-8-9-19(20)15-41(26)32(47)25(17(4)5)40-29(44)24(16(2)3)39-28(43)22-14-35-11-12-36-22/h11-12,14,16-21,23-26H,7-10,13,15H2,1-6H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t18-,19-,20-,21-,24-,25-,26-/m0/s1
InChI key： LUMJPDRAPAWHEN-FZPUJETFSA-N
SMILES： CC[C@H](C)NC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C
Systematic name  (3)：
  • (1S,3aβ,6aβ)-N-[(1S)-1-[1,2-ジオキソ-2-[[(S)-sec-ブチル]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
  • (3S)-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-[(2S)-ブタン-2-イル]-5,5-ジフルオロ-2-オキソペンタンアミド
  • (3S)-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-[(2S)-butan-2-yl]-5,5-difluoro-2-oxopentanamide
Other name (1)：
  • (1S,3aβ,6aβ)-N-[(1S)-1-[1,2-Dioxo-2-[[(S)-sec-butyl]amino]ethyl]-3,3-difluoropropyl]-2-[N-(pyrazine-2-ylcarbonyl)-L-Val-L-Val-]octahydrocyclopenta[c]pyrrole-1β-carboxamide
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