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11,11'-dideoxyverticillin a

  • Formula: C30H28N6O4S4

  • Molecular weight: 664.90

  • Smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC=CC=C5N4)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)C)C

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11,11'-dideoxyverticillin a

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

Names

  • Mycotoxin name: 11,11'-dideoxyverticillin a

  • First synonym: 11,11'-dideoxyverticillin a

  • Synonyms: 11,11'-Dideoxyverticillin A,CHEMBL2172426,12795-76-5,Verticillin,(1S,3R,11R,14S)-3-[(1S,3R,11R,14S)-14,18-dimethyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione,Verticillins,19,19'-Dideoxychetocin,UNII-L03PG2D98P,L03PG2D98P,SCHEMBL20796090,BDBM50396026

Identifiers / External links

Structure

  • Smiles: CC12C(=O)N3C4C(CC3(C(=O)N1C)SS2)(C5=CC=CC=C5N4)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)C)C

  • Isomeric smiles: C[C@]12C(=O)N3[C@@H]4[C@](C[C@@]3(C(=O)N1C)SS2)(C5=CC=CC=C5N4)[C@]67C[C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SS9)C)C

  • Inchi: InChI=1S/C30H28N6O4S4/c1-25-21(37)35-19-27(15-9-5-7-11-17(15)31-19,13-29(35,43-41-25)23(39)33(25)3)28-14-30-24(40)34(4)26(2,42-44-30)22(38)36(30)20(28)32-18-12-8-6-10-16(18)28/h5-12,19-20,31-32H,13-14H2,1-4H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1

  • Inchikey: PVVLIIZIQXDFSP-PNVYSBBASA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H28N6O4S4

  • Molecular weight: 664.90

  • Monoisotopic mass: 664.10548809

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