Chem
J-GLOBAL ID：200907026249219389   Nikkaji number：J2.043.640I

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

(1S,3aβ,6aβ)-N-[(1S)-1-[1,2-ジオキソ-2-[[(S)-α-メチルベンジル]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-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： C38H53N7O6
Molecular formula furigana： C38-H53-N7-O6
Molecular weight： 703.885
InChI： InChI=1S/C38H53N7O6/c1-8-13-27(31(46)36(50)41-23(4)24-14-10-9-11-15-24)42-35(49)30-26-17-12-16-25(26)21-45(30)37(51)32(38(5,6)7)44-34(48)29(22(2)3)43-33(47)28-20-39-18-19-40-28/h9-11,14-15,18-20,22-23,25-27,29-30,32H,8,12-13,16-17,21H2,1-7H3,(H,41,50)(H,42,49)(H,43,47)(H,44,48)/t23-,25-,26-,27-,29-,30-,32+/m0/s1
InChI key： FFYFBFASQTXZRA-HUNVPQJGSA-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)C(=O)C(=O)N[C@@H](C)c1ccccc1
Systematic name  (3)：
  • (1S,3aβ,6aβ)-N-[(1S)-1-[1,2-ジオキソ-2-[[(S)-α-メチルベンジル]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-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
  • (3S)-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}-2-オキソ-N-[(1S)-1-フェニルエチル]ヘキサンアミド
  • (3S)-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}-2-oxo-N-[(1S)-1-phenylethyl]hexanamide
Other name (1)：
  • (1S,3aβ,6aβ)-N-[(1S)-1-[1,2-Dioxo-2-[[(S)-α-methylbenzyl]amino]ethyl]butyl]-2-[N-(pyrazine-2-ylcarbonyl)-L-Val-3-methyl-L-Val-]octahydrocyclopenta[c]pyrrole-1β-carboxamide
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