Chem
J-GLOBAL ID：200907075405077965   Nikkaji number：J1.120.827D

Neodesmosine

ネオデスモシン
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： C19H31N3[N+]O6
Molecular formula furigana： C19-H31-N4-O6
Molecular weight： 411.478
InChI： InChI=1S/C19H30N4O6/c20-14(17(24)25)3-1-2-8-23-10-12(4-6-15(21)18(26)27)9-13(11-23)5-7-16(22)19(28)29/h9-11,14-16H,1-8,20-22H2,(H2-,24,25,26,27,28,29)/p+1
InChI key： ACHWSHWFVHRAOP-UHFFFAOYSA-O
SMILES： NC(CCCC[n+]1cc(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)c1)C(=O)O
Systematic name  (3)：
  • 1-(5-アミノ-5-カルボキシペンチル)-3,5-ビス(3-アミノ-3-カルボキシプロピル)ピリジニウム
  • 3,5-ビス(3-アミノ-3-カルボキシプロピル)-1-(5-アミノ-5-カルボキシペンチル)ピリジン-1-イウム
  • 3,5-bis(3-amino-3-carboxypropyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium
Other name (3)：
  • 1-(5-Amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium
  • ネオデスモシン
  • Neodesmosine
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