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Cyclo-acetoacetyl-l-tryptophan

  • Formula: C15H13N2O3-

  • Molecular weight: 269.27

  • Smiles: CC(=O)C1=C(C(NC1=O)CC2=CNC3=CC=CC=C32)[O-]

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Cyclo-acetoacetyl-l-tryptophan

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Cyclo-acetoacetyl-l-tryptophan

  • First synonym: Caatrp

  • Synonyms: cAATrp,cyclo-acetoacetyl-L-tryptophan,alpha-acetyl-gamma-(beta-indolyl)methyltetramate,alpha-acetyl-gamma-(beta-indolyl)methyltetramic acid

Identifiers / External links

Structure

  • Smiles: CC(=O)C1=C(C(NC1=O)CC2=CNC3=CC=CC=C32)[O-]

  • Isomeric smiles: CC(=O)C1=C([C@@H](NC1=O)CC2=CNC3=CC=CC=C32)[O-]

  • Inchi: InChI=1S/C15H14N2O3/c1-8(18)13-14(19)12(17-15(13)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7,12,16,19H,6H2,1H3,(H,17,20)/p-1/t12-/m0/s1

  • Inchikey: FGDVVSQPCDILGJ-LBPRGKRZSA-M

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H13N2O3-

  • Molecular weight: 269.27

  • Monoisotopic mass: 269.09261728

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