Chem
J-GLOBAL ID：200907051899706335   Nikkaji number：J551.234D

Diazobiotin

ジアゾビオチン
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： C24H34N4[N-][N+]O3S
Molecular formula furigana： C24-H34-N6-O3-S
Molecular weight： 486.640
InChI： InChI=1S/C24H34N6O3S/c1-16(30-25)17-10-12-18(13-11-17)27-22(32)9-3-2-6-14-26-21(31)8-5-4-7-20-23-19(15-34-20)28-24(33)29-23/h10-13,19-20,23H,2-9,14-15H2,1H3,(H,26,31)(H,27,32)(H2,28,29,33)/t19-,20-,23-/m0/s1
InChI key： LSIDKZAEEHAHFN-JTAQYXEDSA-N
SMILES： CC(=[N+]=[N-])c1ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1
Systematic name  (3)：
  • 6-[[5-[[(3aβ,6aβ)-2-オキソヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]ペンタノイル]アミノ]-N-[4-(1-ジアゾエチル)フェニル]ヘキサンアミド
  • 6-{5-[(3aS,4S,6aR)-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]ペンタンアミド}-N-[4-(1-ジアゾエチル)フェニル]ヘキサンアミド
  • 6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-N-[4-(1-diazoethyl)phenyl]hexanamide
Other name (3)：
  • ジアゾビオチン
  • Diazobiotin
  • 6-[[5-[[(3aβ,6aβ)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol]-4α-yl]pentanoyl]amino]-N-[4-(1-diazoethyl)phenyl]hexanamide
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