Chem
J-GLOBAL ID：200907079966946739   Nikkaji number：J2.613.982A

Nagelamide K

ナゲラミドK
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： C24H25Br4N10[N+]O4[O-]S
Molecular formula furigana： C24-H25-BR4-N11-O5-S
Molecular weight： 899.210
InChI： InChI=1S/C24H25Br4N11O5S/c25-11-4-13(35-18(11)27)21(40)32-6-9-3-16-20(31-1-2-45(42,43)44)38-24(30)39(16)17(15-8-34-23(29)37-15)10(9)7-33-22(41)14-5-12(26)19(28)36-14/h3-5,8-10,17,35-36H,1-2,6-7H2,(H,32,40)(H,33,41)(H3,29,34,37)(H2,30,31,38)(H,42,43,44)/t9-,10-,17-/m0/s1
InChI key： MBZGBOIXZULNLR-YMNVWFMLSA-N
SMILES： Nc1ncc([nH]1)[C@@H]1[C@@H](CNC(=O)c2cc(Br)c(Br)[nH]2)[C@H](CNC(=O)c2cc(Br)c(Br)[nH]2)C=C2N1C(=N)NC2=[NH+]CCS(=O)(=O)[O-]
Systematic name  (3)：
  • 5α-(2-アミノ-1H-イミダゾール-5-イル)-6β,7α-ビス[(4,5-ジブロモ-1H-ピロール-2-イルカルボニルアミノ)メチル]-1-(2-スルホナトエチルイミニオ)-1,2,3,5,6,7-ヘキサヒドロイミダゾ[1,5-a]ピリジン-3-イミン
  • 2-{[(5S,6R,7S)-5-(2-アミノ-1H-イミダゾール-5-イル)-6,7-ビス({[(4,5-ジブロモ-1H-ピロール-2-イル)ホルムアミド]メチル})-3-イミノ-1H,2H,3H,5H,6H,7H-イミダゾ[1,5-a]ピリジン-1-イリデン]アザニウミル}エタン-1-スルホナート
  • 2-{[(5S,6R,7S)-5-(2-amino-1H-imidazol-5-yl)-6,7-bis({[(4,5-dibromo-1H-pyrrol-2-yl)formamido]methyl})-3-imino-1H,2H,3H,5H,6H,7H-imidazo[1,5-a]pyridin-1-ylidene]azaniumyl}ethane-1-sulfonate
Other name (3)：
  • 5α-(2-Amino-1H-imidazole-5-yl)-6β,7α-bis[(4,5-dibromo-1H-pyrrole-2-ylcarbonylamino)methyl]-1-(2-sulfonatoethyliminio)-1,2,3,5,6,7-hexahydroimidazo[1,5-a]pyridine-3-imine
  • ナゲラミドK
  • Nagelamide K
CAS registry number： 1030252-94-8
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