Chem
J-GLOBAL ID：200907095788056681   Nikkaji number：J1.178.949H

Pyrrole biotin

ピロールビオチン
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： C26H43N3O3S
Molecular formula furigana： C26-H43-N3-O3-S
Molecular weight： 477.710
InChI： InChI=1S/C26H43N3O3S/c30-24(16-10-9-15-23-25-22(21-33-23)27-26(31)28-25)32-20-14-8-6-4-2-1-3-5-7-11-17-29-18-12-13-19-29/h12-13,18-19,22-23,25H,1-11,14-17,20-21H2,(H2,27,28,31)
InChI key： HSLMPWXCWCLNSJ-UHFFFAOYSA-N
SMILES： O=C(CCCCC1SCC2NC(=O)NC12)OCCCCCCCCCCCCn1cccc1
Systematic name  (3)：
  • 2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-ペンタン酸12-(1H-ピロール-1-イル)ドデシル
  • 12-(1H-ピロール-1-イル)ドデシル 5-{2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル}ペンタノアート
  • 12-(1H-pyrrol-1-yl)dodecyl 5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoate
Other name (3)：
  • 2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-pentanoic acid 12-(1H-pyrrole-1-yl)dodecyl ester
  • ピロールビオチン
  • Pyrrole biotin
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