Chem
J-GLOBAL ID：200907053561933479   Nikkaji number：J372.102G

N-[6-(Trimethylaminio)hexanoyl]-Ala-dihexadecyl NH2

N-[6-(トリメチルアミニオ)ヘキサノイル]-Ala-ジヘキサデシルNH2
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： C44H90N2[N+]O2
Molecular formula furigana： C44-H90-N3-O2
Molecular weight： 693.222
InChI： InChI=1S/C44H89N3O2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-46(40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-2)44(49)42(3)45-43(48)38-34-33-37-41-47(4,5)6/h42H,7-41H2,1-6H3/p+1/t42-/m0/s1
InChI key： GLSMPQFGUHGQDX-WBCKFURZSA-O
SMILES： CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)[C@H](C)NC(=O)CCCCC[N+](C)(C)C
Systematic name  (7)：
  • N,N-ジヘキサデシル-Nα-[6-(トリメチルアミニオ)ヘキサノイル]-L-アラニンアミド
  • N-[6-(トリメチルアミニオ)ヘキサノイル]-Ala-ジヘキサデシルNH2
  • 6-[[[(2S)-1-オキソ-1-(ジヘキサデシルアミノ)プロパン]-2-イル]アミノ]-6-オキソヘキシルトリメチルアミニウム
  • N,N-ジヘキサデシル-N2-[6-(トリメチルアミニオ)ヘキサノイル]-L-アラニンアミド
  • Nα-[6-(トリメチルアミニオ)ヘキサノイル]-N,N-ジヘキサデシルアラニンアミド
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Other name (5)：
  • N,N-Dihexadecyl-Nα-[6-(trimethylaminio)hexanoyl]-L-alaninamide
  • N-[6-(Trimethylaminio)hexanoyl]-Ala-dihexadecyl NH2
  • 6-[[[(2S)-1-Oxo-1-(dihexadecylamino)propane]-2-yl]amino]-6-oxohexyltrimethylaminium
  • N,N-Dihexadecyl-N2-[6-(trimethylaminio)hexanoyl]-L-alaninamide
  • Nα-[6-(Trimethylaminio)hexanoyl]-N,N-dihexadecylalaninamide
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