Chem
J-GLOBAL ID：200907075719903223   Nikkaji number：J1.081.902D

N-[2-(1,3-Benzodioxole-5-yl)ethyl]-N-[(2S,3S)-2-hydroxy-3-[[3,5-dimethoxy-4-(benzyloxy)benzoyl]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-[[3,5-ジメトキシ-4-(ベンジルオキシ)ベンゾイル]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： C43H49N3O9
Molecular formula furigana： C43-H49-N3-O9
Molecular weight： 751.877
InChI： InChI=1S/C43H49N3O9/c1-29(47)45-20-17-33(18-21-45)43(50)46(19-16-31-14-15-37-38(23-31)55-28-54-37)26-36(48)35(22-30-10-6-4-7-11-30)44-42(49)34-24-39(51-2)41(40(25-34)52-3)53-27-32-12-8-5-9-13-32/h4-15,23-25,33,35-36,48H,16-22,26-28H2,1-3H3,(H,44,49)/t35-,36-/m0/s1
InChI key： TVHPSMGZMVWCMG-ZPGRZCPFSA-N
SMILES： COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc2OCOc2c1)C(=O)C1CCN(CC1)C(=O)C
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-[[3,5-ジメトキシ-4-(ベンジルオキシ)ベンゾイル]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
  • 1-アセチル-N-[2-(2H-1,3-ベンゾジオキソール-5-イル)エチル]-N-[(2S,3S)-3-{[4-(ベンジルオキシ)-3,5-ジメトキシフェニル]ホルムアミド}-2-ヒドロキシ-4-フェニルブチル]ピペリジン-4-カルボキサミド
  • 1-acetyl-N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-N-[(2S,3S)-3-{[4-(benzyloxy)-3,5-dimethoxyphenyl]formamido}-2-hydroxy-4-phenylbutyl]piperidine-4-carboxamide
Other name (1)：
  • N-[2-(1,3-Benzodioxole-5-yl)ethyl]-N-[(2S,3S)-2-hydroxy-3-[[3,5-dimethoxy-4-(benzyloxy)benzoyl]amino]-4-phenylbutyl]-1-acetylpiperidine-4-carboxamide
Thsaurus map：
Thesaurus Map

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