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Deoxyisoaustamide

  • Formula: C21H21N3O2

  • Molecular weight: 347.40

  • Smiles: CC1(C=CN2C(CC3=C1NC4=CC=CC=C34)C(=O)N5CCC=C5C2=O)C

  • Type: Diketopiperazine (Indole alkaloid)

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Deoxyisoaustamide

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

Names

  • Mycotoxin name: Deoxyisoaustamide

  • First synonym: None

  • Synonyms: Deoxyisoaustamide,(1S,13Z)-12,12-dimethyl-10,15,21-triazapentacyclo(13.7.0.03,11.04,9.017,21)docosa-3(11),4,6,8,13,17-hexaene-16,22-dione,(1S,13Z)-12,12-dimethyl-10,15,21-triazapentacyclo[13.7.0.03,11.04,9.017,21]docosa-3(11),4,6,8,13,17-hexaene-16,22-dione,CHEMBL5175724

Identifiers / External links

Structure

  • Smiles: CC1(C=CN2C(CC3=C1NC4=CC=CC=C34)C(=O)N5CCC=C5C2=O)C

  • Isomeric smiles: CC1(/C=C\N2[C@@H](CC3=C1NC4=CC=CC=C34)C(=O)N5CCC=C5C2=O)C

  • Inchi: InChI=1S/C21H21N3O2/c1-21(2)9-11-24-17(20(26)23-10-5-8-16(23)19(24)25)12-14-13-6-3-4-7-15(13)22-18(14)21/h3-4,6-9,11,17,22H,5,10,12H2,1-2H3/b11-9-/t17-/m0/s1

  • Inchikey: VSXXSJJFEXRTPT-CCCPALQASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H21N3O2

  • Molecular weight: 347.40

  • Monoisotopic mass: 347.16337692

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