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malformin c

  • Formula: C23H39N5O5S2

  • Molecular weight: 529.70

  • Smiles: CC(C)CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O

  • Type: Cyclopeptide (5 AA)

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malformin c

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

Names

  • Mycotoxin name: malformin c

  • First synonym: None

  • Synonyms: Malformin C,Malformin B1b,59926-78-2,MALFORMINC,Malformin A, 5-L-leucine,(1S,4S,7R,10S,13S)-4,7-bis(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone,5L7KT171K3,UNII-5L7KT171K3,GNF-Pf-3267,DTXSID40894006,BRN 4896114,CYCLO(D-CYSTEINYL-D-CYSTEINYL-L-VALYL-D-LEUCYL-L-LEUCYL), CYCLIC (1->2)-DISULFIDE,(1S,4S,7R,10S,13S)-4,7-bis(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo(11.4.2)nonadecane-3,6,9,12,18-pentone,CHEMBL599936,CHEBI:227459,DTXCID601324049,HY-P2005,AKOS040755548,DA-55201,CS-0106853,(1S,4S,7R,10S,13S)-7,10-diisobutyl-4-isopropyl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone

Identifiers / External links

Structure

  • Smiles: CC(C)CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O

  • Isomeric smiles: CC(C)C[C@H]1C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)C(C)C)NC2=O

  • Inchi: InChI=1S/C23H39N5O5S2/c1-11(2)7-14-20(30)26-16-9-34-35-10-17(27-21(16)31)22(32)28-18(13(5)6)23(33)25-15(8-12(3)4)19(29)24-14/h11-18H,7-10H2,1-6H3,(H,24,29)(H,25,33)(H,26,30)(H,27,31)(H,28,32)/t14-,15+,16+,17+,18-/m0/s1

  • Inchikey: TZODYIWCRGWHQB-TZNCUMHOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H39N5O5S2

  • Molecular weight: 529.70

  • Monoisotopic mass: 529.23926171

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