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Unguisin A

  • Formula: C40H54N8O7

  • Molecular weight: 758.90

  • Smiles: CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)CC4=CC=CC=C4)C(C)C

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Unguisin A

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

Names

  • Mycotoxin name: Unguisin A

  • First synonym: None

  • Synonyms: Unguisin A,226956-06-5,(3R,6R,9R,12S,15R,18R)-12-Benzyl-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone,cyclo(D-alanyl-D-tryptophyl-4-aminobutanoyl-D-alanyl-D-valyl-L-phenylalanyl-D-valyl),CHEBI:203737,DA-78781,HY-133801,CS-0133187

Identifiers / External links

Structure

  • Smiles: CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)CC4=CC=CC=C4)C(C)C

  • Isomeric smiles: C[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)CC4=CC=CC=C4)C(C)C

  • Inchi: InChI=1S/C40H54N8O7/c1-22(2)33-39(54)44-25(6)35(50)45-31(20-27-21-42-29-16-11-10-15-28(27)29)37(52)41-18-12-17-32(49)43-24(5)36(51)47-34(23(3)4)40(55)46-30(38(53)48-33)19-26-13-8-7-9-14-26/h7-11,13-16,21-25,30-31,33-34,42H,12,17-20H2,1-6H3,(H,41,52)(H,43,49)(H,44,54)(H,45,50)(H,46,55)(H,47,51)(H,48,53)/t24-,25-,30+,31-,33-,34-/m1/s1

  • Inchikey: JLLVQPKAQVOYFS-KVOZXUITSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C40H54N8O7

  • Molecular weight: 758.90

  • Monoisotopic mass: 758.41154609

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