Chem
J-GLOBAL ID：200907056880167451   Nikkaji number：J1.858.466B

1-[5-Carboxy-5-(benzyloxycarbonylamino)pentyl]-3-hydroxy-4-(hydroxymethyl)pyridinium

1-[5-カルボキシ-5-(ベンジルオキシカルボニルアミノ)ペンチル]-3-ヒドロキシ-4-(ヒドロキシメチル)ピリジニウム
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： C20H25N[N+]O6
Molecular formula furigana： C20-H25-N2-O6
Molecular weight： 389.427
InChI： InChI=1S/C20H24N2O6/c23-13-16-9-11-22(12-18(16)24)10-5-4-8-17(19(25)26)21-20(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,9,11-12,17,23H,4-5,8,10,13-14H2,(H2-,21,24,25,26,27)/p+1
InChI key： MCKINXUETXTBTK-UHFFFAOYSA-O
SMILES： OCc1cc[n+](CCCCC(NC(=O)OCc2ccccc2)C(=O)O)cc1O
Systematic name  (3)：
  • 1-[5-カルボキシ-5-(ベンジルオキシカルボニルアミノ)ペンチル]-3-ヒドロキシ-4-(ヒドロキシメチル)ピリジニウム
  • 1-(5-{[(ベンジルオキシ)カルボニル]アミノ}-5-カルボキシペンチル)-3-ヒドロキシ-4-(ヒドロキシメチル)ピリジン-1-イウム
  • 1-(5-{[(benzyloxy)carbonyl]amino}-5-carboxypentyl)-3-hydroxy-4-(hydroxymethyl)pyridin-1-ium
Other name (1)：
  • 1-[5-Carboxy-5-(benzyloxycarbonylamino)pentyl]-3-hydroxy-4-(hydroxymethyl)pyridinium
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