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Scleramide

  • Formula: C38H45N7O7

  • Molecular weight: 711.80

  • Smiles: CN1C(C(=O)NCC(=O)NC(C(=O)N(C(C(=O)NCC(=O)NC(C1=O)CCC(=O)N)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4

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Scleramide

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

Names

  • Mycotoxin name: Scleramide

  • First synonym: Scleramide

  • Synonyms: Scleramide,CHEMBL509938

Identifiers / External links

Structure

  • Smiles: CN1C(C(=O)NCC(=O)NC(C(=O)N(C(C(=O)NCC(=O)NC(C1=O)CCC(=O)N)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4

  • Isomeric smiles: CN1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C1=O)CCC(=O)N)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4

  • Inchi: InChI=1S/C38H45N7O7/c1-44-30(21-26-14-8-4-9-15-26)35(49)41-24-34(48)43-29(20-25-12-6-3-7-13-25)38(52)45(2)31(22-27-16-10-5-11-17-27)36(50)40-23-33(47)42-28(37(44)51)18-19-32(39)46/h3-17,28-31H,18-24H2,1-2H3,(H2,39,46)(H,40,50)(H,41,49)(H,42,47)(H,43,48)/t28-,29-,30-,31-/m0/s1

  • Inchikey: UTVCBQCZOQNCAY-ORYMTKCHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C38H45N7O7

  • Molecular weight: 711.80

  • Monoisotopic mass: 711.3380468

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