Chem
J-GLOBAL ID:200907048872593970   Nikkaji number:J2.420.407C

α-(tert-Butylimino)-3′-O,5′-O-diacetyl-6-(butylamino)-1,6-secothymidine

α-(tert-ブチルイミノ)-3′-O,5′-O-ジアセチル-6-(ブチルアミノ)-1,6-セコチミジン
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: C22H36N4O7
Molecular formula furigana: C22-H36-N4-O7
Molecular weight: 468.551
InChI: InChI=1S/C22H36N4O7/c1-7-8-9-23-11-16(12-24-22(4,5)6)20(29)26-21(30)25-19-10-17(32-15(3)28)18(33-19)13-31-14(2)27/h11-12,17-19,23H,7-10,13H2,1-6H3,(H2,25,26,29,30)/t17-,18+,19+/m0/s1
InChI key: PIFKIJWCHVNWQF-IPMKNSEASA-N
SMILES: CCCCNC=C(C=NC(C)(C)C)C(=O)NC(=O)N[C@H]1C[C@H](OC(=O)C)[C@@H](COC(=O)C)O1
Systematic name  (3):
  • α-(tert-ブチルイミノ)-3′-O,5′-O-ジアセチル-6-(ブチルアミノ)-1,6-セコチミジン
  • [(2R,3S,5R)-3-(アセチルオキシ)-5-({[3-(ブチルアミノ)-2-[(tert-ブチルイミノ)メチル]プロパ-2-エノイル]カルバモイル}アミノ)オキソラン-2-イル]メチル アセタート
  • [(2R,3S,5R)-3-(acetyloxy)-5-({[3-(butylamino)-2-[(tert-butylimino)methyl]prop-2-enoyl]carbamoyl}amino)oxolan-2-yl]methyl acetate
Other name (1):
  • α-(tert-Butylimino)-3′-O,5′-O-diacetyl-6-(butylamino)-1,6-secothymidine
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