Chem
J-GLOBAL ID：200907034740789009   Nikkaji number：J2.043.616F

(1S,3aβ,6aβ)-N-[(1R)-1-[1,2-Dioxo-2-(cyclopropylamino)ethyl]butyl]-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]ブチル]-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： C32H47N7O6
Molecular formula furigana： C32-H47-N7-O6
Molecular weight： 625.771
InChI： InChI=1S/C32H47N7O6/c1-6-8-22(27(40)31(44)35-20-11-12-20)36-30(43)26-21-10-7-9-19(21)16-39(26)32(45)25(18(4)5)38-29(42)24(17(2)3)37-28(41)23-15-33-13-14-34-23/h13-15,17-22,24-26H,6-12,16H2,1-5H3,(H,35,44)(H,36,43)(H,37,41)(H,38,42)/t19-,21-,22+,24-,25-,26-/m0/s1
InChI key： RJUXWBNDZWRQEF-STFMRPPXSA-N
SMILES： CCC[C@@H](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)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]ブチル]-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-2-オキソヘキサンアミド
  • (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-2-oxohexanamide
Other name (1)：
  • (1S,3aβ,6aβ)-N-[(1R)-1-[1,2-Dioxo-2-(cyclopropylamino)ethyl]butyl]-2-[N-(pyrazine-2-ylcarbonyl)-L-Val-L-Val-]octahydrocyclopenta[c]pyrrole-1β-carboxamide
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