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Neoechinulin d

  • Formula: C24H29N3O2

  • Molecular weight: 391.50

  • Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=CC(=C3)CC=C(C)C)C(C)(C)C=C)C(=O)N1

  • Type: Indole dipeptide 23

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Neoechinulin d

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

Names

  • Mycotoxin name: Neoechinulin d

  • First synonym: Neoechinulin d

  • Synonyms: Neoechinulin D,ZINC14612874,57765-86-3

Identifiers / External links

Structure

  • Smiles: CC1C(=O)NC(=CC2=C(NC3=C2C=CC(=C3)CC=C(C)C)C(C)(C)C=C)C(=O)N1

  • Isomeric smiles: C[C@H]1C(=O)N/C(=C\C2=C(NC3=C2C=CC(=C3)CC=C(C)C)C(C)(C)C=C)/C(=O)N1

  • Inchi: InChI=1S/C24H29N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-11-10-16(9-8-14(2)3)12-19(17)26-21/h7-8,10-13,15,26H,1,9H2,2-6H3,(H,25,29)(H,27,28)/b20-13-/t15-/m0/s1

  • Inchikey: YCCLECFRSYOPML-HYTQYMIGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H29N3O2

  • Molecular weight: 391.50

  • Monoisotopic mass: 391.22597718

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