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arestrictin b

  • Formula: C29H39N3O2

  • Molecular weight: 461.60

  • Smiles: CC1C(=O)NC(C(=O)N1)CC2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C

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arestrictin b

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

  • Mycotoxin name: arestrictin b

  • First synonym: None

  • Synonyms: Arestrictin B,CHEBI:227600,(3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-6,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione

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Structure

  • Smiles: CC1C(=O)NC(C(=O)N1)CC2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C

  • Isomeric smiles: C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C2C=CC(=C3CC=C(C)C)CC=C(C)C)C(C)(C)C=C

  • Inchi: InChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-13-20(12-10-17(2)3)21(25(22)32-26)14-11-18(4)5/h9-11,13,15,19,24,32H,1,12,14,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1

  • Inchikey: RZKBCDQVIRHOQC-CYFREDJKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C29H39N3O2

  • Molecular weight: 461.60

  • Monoisotopic mass: 461.3042275

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