Chem
J-GLOBAL ID：200907032699286477   Nikkaji number：J1.743.850F

12,12′-Dimethylageliferin

12,12′-ジメチルアゲリフェリン
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： C24H28Br2N10O2
Molecular formula furigana： C24-H28-BR2-N10-O2
Molecular weight： 648.364
InChI： InChI=1S/C24H28Br2N10O2/c1-35-17-3-11(6-31-21(37)15-4-12(25)7-29-15)14(9-32-22(38)16-5-13(26)8-30-16)19(20(17)34-24(35)28)18-10-33-23(27)36(18)2/h4-5,7-8,10-11,14,19,29-30H,3,6,9H2,1-2H3,(H2,27,33)(H2,28,34)(H,31,37)(H,32,38)/t11-,14-,19+/m1/s1
InChI key： HVDRFFXREAVVSQ-LCCAYYTGSA-N
SMILES： Cn1c(N)nc2[C@@H]([C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)Cc12)c1cnc(N)n1C
Systematic name  (4)：
  • (4S)-1-メチル-4β-(1-メチル-2-アミノ-5-イミダゾリル)-5α,6β-ビス(4-ブロモ-2-ピロリルカルボニルアミノメチル)-4,5,6,7-テトラヒドロ-1H-ベンゾイミダゾール-2-アミン
  • N,N′-[2-アミノ-4β-(2-アミノ-1-メチル-1H-イミダゾール-5-イル)-4,5,6,7-テトラヒドロ-1-メチル-1H-ベンゾイミダゾール-5α,6β-ジイルビス(メチレン)]ビス(4-ブロモ-1H-ピロール-2-カルボアミド)
  • N-{[(4S,5R,6S)-2-アミノ-4-(2-アミノ-1-メチル-1H-イミダゾール-5-イル)-6-{[(4-ブロモ-1H-ピロール-2-イル)ホルムアミド]メチル}-1-メチル-4,5,6,7-テトラヒドロ-1H-1,3-ベンゾジアゾール-5-イル]メチル}-4-ブロモ-1H-ピロール-2-カルボキサミド
  • N-{[(4S,5R,6S)-2-amino-4-(2-amino-1-methyl-1H-imidazol-5-yl)-6-{[(4-bromo-1H-pyrrol-2-yl)formamido]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-yl]methyl}-4-bromo-1H-pyrrole-2-carboxamide
Other name (4)：
  • (4S)-1-Methyl-4β-(1-methyl-2-amino-5-imidazolyl)-5α,6β-bis(4-bromo-2-pyrrolylcarbonylaminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazole-2-amine
  • N,N′-[2-Amino-4β-(2-amino-1-methyl-1H-imidazole-5-yl)-4,5,6,7-tetrahydro-1-methyl-1H-benzimidazole-5α,6β-diylbis(methylene)]bis(4-bromo-1H-pyrrole-2-carboxamide)
  • 12,12′-ジメチルアゲリフェリン
  • 12,12′-Dimethylageliferin
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