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N-methyl-4-dimethylallyltryptophan

  • Formula: C17H22N2O2

  • Molecular weight: 286.37

  • Smiles: CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NC)C

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N-methyl-4-dimethylallyltryptophan

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

  • Mycotoxin name: N-methyl-4-dimethylallyltryptophan

  • First synonym: N-methyl-4-dimethylallyltryptophan

  • Synonyms: N-Methyl-4-dimethylallyltryptophan,4-dimethylallyl-L-abrine,4-(3-methylbut-2-enyl)-L-abrine,75917-16-7,UNII-T637D9LW5H,T637D9LW5H,Namino-Methyl-4-dimethylallyl-L-tryptophan,(2S)-2-(methylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoic acid,N-methyl-4-(3-methylbut-2-en-1-yl)-L-tryptophan,SCHEMBL12498038,CHEBI:68464,N-Methyl-dimethylallyl L-tryptophan,C20410,L-Tryptophan, N-methyl-4-(3-methyl-2-buten-1-yl)-,Q27136958

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Structure

  • Smiles: CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NC)C

  • Isomeric smiles: CC(=CCC1=C2C(=CC=C1)NC=C2C[C@@H](C(=O)O)NC)C

  • Inchi: InChI=1S/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/t15-/m0/s1

  • Inchikey: QQMWUGXCTSAHLX-HNNXBMFYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H22N2O2

  • Molecular weight: 286.37

  • Monoisotopic mass: 286.168127949

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