Leptosin D
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Formula: C25H24N4O3S2
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Molecular weight: 492.60
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Smiles: CC(C)C12C(=O)N3C4C(C(C3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76
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Type: Epipolythiopiperazine-3,6-dione
Leptosin D
Names
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Mycotoxin name: Leptosin D
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First synonym: None
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Synonyms: Leptosin D,159518-77-1,(1S,2S,3R,11R,14S)-2-hydroxy-3-(1H-indol-3-yl)-18-methyl-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione,(1S,2S,3R,11R,14S)-2-hydroxy-3-(1H-indol-3-yl)-18-methyl-14-propan-2-yl-15,16-dithia-10,12,18-triazapentacyclo(12.2.2.01,12.03,11.04,9)octadeca-4,6,8-triene-13,17-dione,CHEMBL4633813,HY-N10287,DA-54858,CS-0373544
Identifiers / External links
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CAS: 159518-77-1
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PubChem CID: 10028622
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ChemSpiderID: 8204193
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ChEMBL: CHEMBL4633813
Structure
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Smiles: CC(C)C12C(=O)N3C4C(C(C3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76
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Isomeric smiles: CC(C)[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76
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Inchi: InChI=1S/C25H24N4O3S2/c1-13(2)24-22(32)29-20-23(15-9-5-7-11-18(15)27-20,16-12-26-17-10-6-4-8-14(16)17)19(30)25(29,34-33-24)21(31)28(24)3/h4-13,19-20,26-27,30H,1-3H3/t19-,20+,23+,24-,25-/m0/s1
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Inchikey: GXXLXFUKTNCGPR-MAOFURFTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H24N4O3S2
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Molecular weight: 492.60
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Monoisotopic mass: 492.12898299
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Fungi
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Fungi id Species