Chem
J-GLOBAL ID：200907029428224491   Nikkaji number：J2.043.642E

(1S,3aβ,6aβ)-N-[(1R)-1-[1,2-Dioxo-2-(cyclopropylamino)ethyl]-3,3-difluoropropyl]-2-[N-(pyrazine-2-ylcarbonyl)-L-Val-3-methyl-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-3-メチル-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： C32H45F2N7O6
Molecular formula furigana： C32-H45-F2-N7-O6
Molecular weight： 661.752
InChI： InChI=1S/C32H45F2N7O6/c1-16(2)23(39-27(43)21-14-35-11-12-36-21)28(44)40-26(32(3,4)5)31(47)41-15-17-7-6-8-19(17)24(41)29(45)38-20(13-22(33)34)25(42)30(46)37-18-9-10-18/h11-12,14,16-20,22-24,26H,6-10,13,15H2,1-5H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t17-,19-,20+,23-,24-,26+/m0/s1
InChI key： YBKIXZLAGGQYMQ-NVSOQYSRSA-N
SMILES： CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@H](CC(F)F)C(=O)C(=O)NC1CC1)C(C)(C)C
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-3-メチル-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)-3,3-ジメチル-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)-3,3-dimethyl-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-3-methyl-L-Val-]octahydrocyclopenta[c]pyrrole-1β-carboxamide
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