Chem
J-GLOBAL ID:200907054997370530   Nikkaji number:J1.081.903B

N-[2-(1,3-Benzodioxole-5-yl)ethyl]-N-[(2S,3S)-2-hydroxy-3-[[(3-chlorophenoxy)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-クロロフェノキシ)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: C35H40ClN3O7
Molecular formula furigana: C35-H40-CL-N3-O7
Molecular weight: 650.170
InChI: InChI=1S/C35H40ClN3O7/c1-24(40)38-16-13-27(14-17-38)35(43)39(15-12-26-10-11-32-33(19-26)46-23-45-32)21-31(41)30(18-25-6-3-2-4-7-25)37-34(42)22-44-29-9-5-8-28(36)20-29/h2-11,19-20,27,30-31,41H,12-18,21-23H2,1H3,(H,37,42)/t30-,31-/m0/s1
InChI key: JZFCZNJOQYIEAF-CONSDPRKSA-N
SMILES: CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(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-クロロフェノキシ)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-クロロフェノキシ)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-chlorophenoxy)acetamide
Other name (1):
  • N-[2-(1,3-Benzodioxole-5-yl)ethyl]-N-[(2S,3S)-2-hydroxy-3-[[(3-chlorophenoxy)acetyl]amino]-4-phenylbutyl]-1-acetylpiperidine-4-carboxamide
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