Chem
J-GLOBAL ID：200907020312891710   Nikkaji number：J147.297F

HC Toxin

HCトキシン
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： C21H32N4O6
Molecular formula furigana： C21-H32-N4-O6
Molecular weight： 436.509
InChI： InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17?/m0/s1
InChI key： GNYCTMYOHGBSBI-KVUCBBCISA-N
SMILES： C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@@H](C)NC1=O
Systematic name  (5)：
  • シクロ(D-Pro-L-Ala-D-Ala-6-(2-オキソ-2-オキシラニルエチル)-L-Nle-)
  • シクロ[D-Pro-L-Ala-D-Ala-2-(6-オキソ-6-オキシラニルヘキシル)-L-Gly-]
  • シクロ[L-Ala-D-Ala-[(2S)-2-アミノ*-8-オキソ-8-オキシラニルオクタノイル]-D-Pro-]
  • (3S,6R,9S,14aR)-3,6-ジメチル-9-[6-(オキシラン-2-イル)-6-オキソヘキシル]-テトラデカヒドロピロロ[1,2-a]1,4,7,10-テトラアザシクロドデカン-1,4,7,10-テトラオン
  • (3S,6R,9S,14aR)-3,6-dimethyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-tetradecahydropyrrolo[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone
Other name (12)：
  • Toxin I
  • HC toxin I
  • HC Toxin
  • トキシンI
  • HCトキシンI
Show all
CAS registry number： 83209-65-8
KEGG COMPOUND： C15676
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