Chem
J-GLOBAL ID：201307046097525024   Nikkaji number：J3.146.126J

4-(Diazomethyl)-6-bromo-7-[2-oxo-2-[[5-[(3aβ,6aβ)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]amino]ethoxy]-2H-1-benzopyran-2-one

4-(ジアゾメチル)-6-ブロモ-7-[2-オキソ-2-[[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]エトキシ]-2H-1-ベンゾピラン-2-オン
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： C22H22BrN3[N-][N+]O6S
Molecular formula furigana： C22-H22-BR-N5-O6-S
Molecular weight： 564.410
InChI： InChI=1S/C22H22BrN5O6S/c23-13-6-12-11(8-25-24)5-20(31)34-15(12)7-16(13)33-9-19(30)27-18(29)4-2-1-3-17-21-14(10-35-17)26-22(32)28-21/h5-8,14,17,21H,1-4,9-10H2,(H2,26,28,32)(H,27,29,30)/t14-,17-,21-/m0/s1
InChI key： FZCYYTIGEUAQHL-LFRPXUGBSA-N
SMILES： Brc1cc2c(C=[N+]=[N-])cc(=O)oc2cc1OCC(=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Systematic name  (3)：
  • 4-(ジアゾメチル)-6-ブロモ-7-[2-オキソ-2-[[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]エトキシ]-2H-1-ベンゾピラン-2-オン
  • N-{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]ペンタノイル}-2-{[6-ブロモ-4-(ジアゾメチル)-2-オキソ-2H-クロメン-7-イル]オキシ}アセトアミド
  • N-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-2-{[6-bromo-4-(diazomethyl)-2-oxo-2H-chromen-7-yl]oxy}acetamide
Other name (1)：
  • 4-(Diazomethyl)-6-bromo-7-[2-oxo-2-[[5-[(3aβ,6aβ)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4α-yl]pentanoyl]amino]ethoxy]-2H-1-benzopyran-2-one
Thsaurus map：
Thesaurus Map

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