Chem
J-GLOBAL ID：200907033920848694   Nikkaji number：J2.043.636K

(1S,3aβ,6aβ)-N-[(1R)-1-[1,2-Dioxo-2-[[(S)-sec-butyl]amino]ethyl]butyl]-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-[[(S)-sec-ブチル]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： C34H53N7O6
Molecular formula furigana： C34-H53-N7-O6
Molecular weight： 655.841
InChI： InChI=1S/C34H53N7O6/c1-9-12-23(27(42)32(46)37-20(5)10-2)38-31(45)26-22-14-11-13-21(22)18-41(26)33(47)28(34(6,7)8)40-30(44)25(19(3)4)39-29(43)24-17-35-15-16-36-24/h15-17,19-23,25-26,28H,9-14,18H2,1-8H3,(H,37,46)(H,38,45)(H,39,43)(H,40,44)/t20-,21-,22-,23+,25-,26-,28+/m0/s1
InChI key： VDTVFWIEFFGHNK-YDESUFHBSA-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)CC
Systematic name  (3)：
  • (1S,3aβ,6aβ)-N-[(1R)-1-[1,2-ジオキソ-2-[[(S)-sec-ブチル]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
  • (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-[(2S)-ブタン-2-イル]-2-オキソヘキサンアミド
  • (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-[(2S)-butan-2-yl]-2-oxohexanamide
Other name (1)：
  • (1S,3aβ,6aβ)-N-[(1R)-1-[1,2-Dioxo-2-[[(S)-sec-butyl]amino]ethyl]butyl]-2-[N-(pyrazine-2-ylcarbonyl)-L-Val-3-methyl-L-Val-]octahydrocyclopenta[c]pyrrole-1β-carboxamide
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