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Serinocyclin a

  • Formula: C27H44N8O12

  • Molecular weight: 672.70

  • Smiles: C1CNC(=O)C(NC(=O)C(NC(=O)C2CC(CN2C(=O)C3(CC3)NC(=O)C(NC(=O)C(NC1=O)CO)CO)O)CO)CC(CCN)O

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Serinocyclin a

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

Names

  • Mycotoxin name: Serinocyclin a

  • First synonym: Serinocyclin a

  • Synonyms: serinocyclin A,CHEMBL269595

Identifiers / External links

Structure

  • Smiles: C1CNC(=O)C(NC(=O)C(NC(=O)C2CC(CN2C(=O)C3(CC3)NC(=O)C(NC(=O)C(NC1=O)CO)CO)O)CO)CC(CCN)O

  • Isomeric smiles: C1CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CO)CO)O)CO)C[C@H](CCN)O

  • Inchi: InChI=1S/C27H44N8O12/c28-5-1-13(39)7-15-21(42)29-6-2-20(41)30-16(10-36)22(43)32-18(12-38)24(45)34-27(3-4-27)26(47)35-9-14(40)8-19(35)25(46)33-17(11-37)23(44)31-15/h13-19,36-40H,1-12,28H2,(H,29,42)(H,30,41)(H,31,44)(H,32,43)(H,33,46)(H,34,45)/t13-,14+,15+,16+,17-,18-,19-/m0/s1

  • Inchikey: RBBMDAKGTMLVAP-LPJTWDLVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H44N8O12

  • Molecular weight: 672.70

  • Monoisotopic mass: 672.30786887

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