Chem
J-GLOBAL ID：200907048387720629   Nikkaji number：J1.912.219K

Brasiliamide D

ブラシリアミドD
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： C24H28N2O5
Molecular formula furigana： C24-H28-N2-O5
Molecular weight： 424.497
InChI： InChI=1S/C24H28N2O5/c1-16(27)25-14-21(10-19-11-22(29-3)24-23(12-19)30-15-31-24)26(17(2)28)13-20(25)9-18-7-5-4-6-8-18/h4-8,11-12,20-21H,9-10,13-15H2,1-3H3/t20-,21-/m0/s1
InChI key： LGVCEIBVKNARBM-SFTDATJTSA-N
SMILES： COc1cc(C[C@H]2CN([C@@H](Cc3ccccc3)CN2C(=O)C)C(=O)C)cc2OCOc12
Systematic name  (3)：
  • 1,4-ジアセチル-2β-ベンジル-5β-(4-メトキシ-1,3-ベンゾジオキソール-6-イルメチル)ピペラジン
  • 1-[(2S,5S)-4-アセチル-2-ベンジル-5-[(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)メチル]ピペラジン-1-イル]エタン-1-オン
  • 1-[(2S,5S)-4-acetyl-2-benzyl-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethan-1-one
Other name (3)：
  • 1,4-Diacetyl-2β-benzyl-5β-(4-methoxy-1,3-benzodioxole-6-ylmethyl)piperazine
  • ブラシリアミドD
  • Brasiliamide D
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