Chemical Compound

AK-toxin I

CAS Registry Number 85146-09-4
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AK-toxin I chemical structure
Primary Record

AK-toxin I

In stock
7,637 g
Purity
98.5 %
CAS
85146-09-4

Compound Identifiers & Properties

CAS
85146-09-4
PubChem CID
100970746
SMILES
CC(C1=CC=CC=C1)[C@@H](C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@@]2(CO2)C)NC(=O)C
Canonical SMILES
CC(=O)N[C@H](C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1)C(C)c1ccccc1

Names & Synonyms

  • AK-toxin I
  • J1.119.057J
  • (2E,4Z,6E,8R)-8-{[(2S)-2-acetamido-3-phenylbutanoyl]oxy}-8-[(2S)-2-methyloxiran-2-yl]octa-2,4,6-trienoic acid
  • 85146-09-4
  • L-Phenylalanine, N-acetyl-beta-methyl-, (1R,2E,4Z,6E)-7-carboxy-1-((2S)-2-methyloxiranyl)-2,4,6-heptatrienyl ester, (betaS)-
  • N-Acetyl-beta-methyl-L-phenylalanine (1R,2E,4Z,6E)-7-carboxy-1-[(S)-2-methyloxiranyl]-2,4,6-heptatrienyl ester