Chem
J-GLOBAL ID：200907046609729481   Nikkaji number：J1.081.905I

N-[2-(1,3-Benzodioxole-5-yl)ethyl]-N-[(2S,3S)-2-hydroxy-3-[[(3-chloroanilino)acetyl]amino]-4-phenylbutyl]-1-acetylpiperidine-4-carboxamide

N-[2-(1,3-ベンゾジオキソール-5-イル)エチル]-N-[(2S,3S)-2-ヒドロキシ-3-[[(3-クロロアニリノ)アセチル]アミノ]-4-フェニルブチル]-1-アセチルピペリジン-4-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： C35H41ClN4O6
Molecular formula furigana： C35-H41-CL-N4-O6
Molecular weight： 649.190
InChI： InChI=1S/C35H41ClN4O6/c1-24(41)39-16-13-27(14-17-39)35(44)40(15-12-26-10-11-32-33(19-26)46-23-45-32)22-31(42)30(18-25-6-3-2-4-7-25)38-34(43)21-37-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,37,42H,12-18,21-23H2,1H3,(H,38,43)/t30-,31-/m0/s1
InChI key： QYNGMKLMUCFWOW-CONSDPRKSA-N
SMILES： CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
Systematic name  (3)：
  • N-[2-(1,3-ベンゾジオキソール-5-イル)エチル]-N-[(2S,3S)-2-ヒドロキシ-3-[[(3-クロロアニリノ)アセチル]アミノ]-4-フェニルブチル]-1-アセチルピペリジン-4-カルボアミド
  • N-[(2S,3S)-4-[1-(1-アセチルピペリジン-4-イル)-N-[2-(2H-1,3-ベンゾジオキソール-5-イル)エチル]ホルムアミド]-3-ヒドロキシ-1-フェニルブタン-2-イル]-2-[(3-クロロフェニル)アミノ]アセトアミド
  • N-[(2S,3S)-4-[1-(1-acetylpiperidin-4-yl)-N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]formamido]-3-hydroxy-1-phenylbutan-2-yl]-2-[(3-chlorophenyl)amino]acetamide
Other name (1)：
  • N-[2-(1,3-Benzodioxole-5-yl)ethyl]-N-[(2S,3S)-2-hydroxy-3-[[(3-chloroanilino)acetyl]amino]-4-phenylbutyl]-1-acetylpiperidine-4-carboxamide
Thsaurus map：
Thesaurus Map

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