Chem
J-GLOBAL ID:200907040907065989   Nikkaji number:J1.743.849B

(4R)-1-Methyl-2-(benzylideneamino)-4β-[1-methyl-2-(benzylideneamino)-5-imidazolyl]-5α,6β-bis(4-bromo-2-pyrrolylcarbonylaminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

(4R)-1-メチル-2-(ベンジリデンアミノ)-4β-[1-メチル-2-(ベンジリデンアミノ)-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
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: C38H36Br2N10O2
Molecular formula furigana: C38-H36-BR2-N10-O2
Molecular weight: 824.582
InChI: InChI=1S/C38H36Br2N10O2/c1-49-31-13-25(18-43-35(51)29-14-26(39)19-41-29)28(21-44-36(52)30-15-27(40)20-42-30)33(34(31)48-38(49)46-17-24-11-7-4-8-12-24)32-22-47-37(50(32)2)45-16-23-9-5-3-6-10-23/h3-12,14-17,19-20,22,25,28,33,41-42H,13,18,21H2,1-2H3,(H,43,51)(H,44,52)/t25-,28-,33-/m1/s1
InChI key: NSGKTENKQVCYDN-XBFSGRNCSA-N
SMILES: Cn1c2C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@@H](CNC(=O)c3cc(Br)c[nH]3)[C@H](c3cnc(N=Cc4ccccc4)n3C)c2nc1N=Cc1ccccc1
Systematic name  (3):
  • (4R)-1-メチル-2-(ベンジリデンアミノ)-4β-[1-メチル-2-(ベンジリデンアミノ)-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
  • 4-ブロモ-N-{[(4R,5R,6S)-5-{[(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-{1-メチル-2-[(フェニルメチリデン)アミノ]-1H-イミダゾール-5-イル}-2-[(フェニルメチリデン)アミノ]-4,5,6,7-テトラヒドロ-1H-1,3-ベンゾジアゾール-6-イル]メチル}-1H-ピロール-2-カルボキサミド
  • 4-bromo-N-{[(4R,5R,6S)-5-{[(4-bromo-1H-pyrrol-2-yl)formamido]methyl}-1-methyl-4-{1-methyl-2-[(phenylmethylidene)amino]-1H-imidazol-5-yl}-2-[(phenylmethylidene)amino]-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-6-yl]methyl}-1H-pyrrole-2-carboxamide
Other name (1):
  • (4R)-1-Methyl-2-(benzylideneamino)-4β-[1-methyl-2-(benzylideneamino)-5-imidazolyl]-5α,6β-bis(4-bromo-2-pyrrolylcarbonylaminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
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