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Cycloaspeptide d

  • Formula: C35H41N5O6

  • Molecular weight: 627.70

  • Smiles: CC1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)C(C)C)CC4=CC=CC=C4)C

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Cycloaspeptide d

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

Names

  • Mycotoxin name: Cycloaspeptide d

  • First synonym: Cycloaspeptide d

  • Synonyms: Cycloaspeptide D,DTXSID601017571

Identifiers / External links

Structure

  • Smiles: CC1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)C(C)C)CC4=CC=CC=C4)C

  • Isomeric smiles: C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC2=CC=CC=C2C(=O)N1)CC3=CC=C(C=C3)O)C)C(C)C)CC4=CC=CC=C4)C

  • Inchi: InChI=1S/C35H41N5O6/c1-21(2)30-35(46)40(5)28(20-24-15-17-25(41)18-16-24)32(43)37-27-14-10-9-13-26(27)31(42)36-22(3)34(45)39(4)29(33(44)38-30)19-23-11-7-6-8-12-23/h6-18,21-22,28-30,41H,19-20H2,1-5H3,(H,36,42)(H,37,43)(H,38,44)/t22-,28-,29-,30-/m0/s1

  • Inchikey: GXJXATAYZOLJHQ-BJPINVTDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C35H41N5O6

  • Molecular weight: 627.70

  • Monoisotopic mass: 627.30568404

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