Chem
J-GLOBAL ID：200907005629875745   Nikkaji number：J734.306J

Agelastatin E

アゲラスタチンE
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： C13H15BrN4O3
Molecular formula furigana： C13-H15-BR-N4-O3
Molecular weight： 355.192
InChI： InChI=1S/C13H15BrN4O3/c1-17-12(20)16-10-9-7(5-13(10,17)21-2)18-6(11(19)15-9)3-4-8(18)14/h3-4,7,9-10H,5H2,1-2H3,(H,15,19)(H,16,20)/t7-,9-,10+,13+/m1/s1
InChI key： UWPJTBJKXNLTOH-PZWLIILKSA-N
SMILES： CO[C@@]12C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n34)[C@@H]1NC(=O)N2C
Systematic name  (3)：
  • 1-ブロモ-8-メチル-8aβ-メトキシ-5,5aα,5bβ,6,8,8a,9,9aα-オクタヒドロ-5,6,8,9b-テトラアザ-9bH-シクロペンタ[b]-as-インダセン-4,7-ジオン
  • (1R,9S,10S,14S)-3-ブロモ-14-メトキシ-13-メチル-2,8,11,13-テトラアザテトラシクロ[7.6.0.02,6.010,14]ペンタデカ-3,5-ジエン-7,12-ジオン
  • (1R,9S,10S,14S)-3-bromo-14-methoxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
Other name (3)：
  • 1-Bromo-8-methyl-8aβ-methoxy-5,5aα,5bβ,6,8,8a,9,9aα-octahydro-5,6,8,9b-tetraaza-9bH-cyclopent[b]-as-indacene-4,7-dione
  • Agelastatin E
  • アゲラスタチンE
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM