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Beauveriolide iii

  • Formula: C27H41N3O5

  • Molecular weight: 487.60

  • Smiles: CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)C)CC2=CC=CC=C2

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Beauveriolide iii

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

Names

  • Mycotoxin name: Beauveriolide iii

  • First synonym: Beauveriolide iii

  • Synonyms: Beauveriolide III,CHEMBL409855,221111-70-2,cyclo[L-alanyl-D-alloisoleucyl-(3S,4S)-3-hydroxy-4-methyloctanoyl-L-phenylalanyl],(3R,6S,9S,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone,SCHEMBL16174055,BDBM50360305

Identifiers / External links

Structure

  • Smiles: CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)C)CC2=CC=CC=C2

  • Isomeric smiles: CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O1)[C@@H](C)CC)C)CC2=CC=CC=C2

  • Inchi: InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24+/m0/s1

  • Inchikey: VEELKRGSLCNVAR-QVZGIDAOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H41N3O5

  • Molecular weight: 487.60

  • Monoisotopic mass: 487.30462142

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