Chem
J-GLOBAL ID：200907064445675766   Nikkaji number：J602.709A

Photobiotin

フォトビオチン
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： C23H35N6[N-][N+]2O3[O-]S
Molecular formula furigana： C23-H35-N9-O4-S
Molecular weight： 533.650
InChI： InChI=1S/C23H35N9O4S/c1-31(12-4-10-25-17-9-8-16(29-30-24)14-19(17)32(35)36)13-5-11-26-21(33)7-3-2-6-20-22-18(15-37-20)27-23(34)28-22/h8-9,14,18,20,22,25H,2-7,10-13,15H2,1H3,(H,26,33)(H2,27,28,34)/t18-,20+,22+/m1/s1
InChI key： BRLRJZRHRJEWJY-CBQOVEMMSA-N
SMILES： CN(CCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)CCCNc1ccc(cc1[N+](=O)[O-])N=[N+]=[N-]
Systematic name  (3)：
  • (3aS,6aS)-N-[3-[[3-[(4-アジド-2-ニトロフェニル)アミノ]プロピル]メチルアミノ]プロピル]ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4α-ペンタンアミド
  • 5-[(3aS,4S,6aS)-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]-N-[3-({3-[(4-アジド-2-ニトロフェニル)アミノ]プロピル}(メチル)アミノ)プロピル]ペンタンアミド
  • 5-[(3aS,4S,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[3-({3-[(4-azido-2-nitrophenyl)amino]propyl}(methyl)amino)propyl]pentanamide
Other name (3)：
  • フォトビオチン
  • Photobiotin
  • (3aS,6aS)-N-[3-[[3-[(4-Azido-2-nitrophenyl)amino]propyl]methylamino]propyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4α-pentanamide
CAS registry number： 96087-37-5
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