Leptosin J

Formula: C32H32N6O7S4
Molecular weight: 740.90
Smiles: CC(C)C12C(=O)N3C4C5(C(C3(C(=O)N1C)SSSS2)OC67C(C58C(N6C(=O)C(N(C7=O)C)OC)NC9=CC=CC=C89)O)C1=CC=CC=C1N4
Type: Benzofuranone

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Leptosin J

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Leptosin J
First synonym: None
Synonyms: Leptosin J,160550-15-2,Leptosine J,AKOS040752491,Chaetocin, 2,5:2',5'-dide(epidithio)-19'-deoxy-2',5'-(epitetrathio)-5,6'-epoxy-6-hydroxy-19',19'-dimethyl-, (2alpha,5alpha,6S,6'S,15alpha)-,(1S,2S,4S,7S,10S,27R,37S)-37-hydroxy-7-methoxy-6,36-dimethyl-30-propan-2-yl-3-oxa-31,32,33,34-tetrathia-6,9,11,26,28,36-hexazadecacyclo[28.4.2.14,18.01,28.02,19.04,9.010,18.012,17.019,27.020,25]heptatriaconta-12,14,16,20,22,24-hexaene-5,8,29,35-tetrone

Smiles: CC(C)C12C(=O)N3C4C5(C(C3(C(=O)N1C)SSSS2)OC67C(C58C(N6C(=O)C(N(C7=O)C)OC)NC9=CC=CC=C89)O)C1=CC=CC=C1N4
Isomeric smiles: CC(C)C12C(=O)N3[C@@H]4C5([C@@H]([C@@]3(C(=O)N1C)SSSS2)O[C@]67[C@H](C58[C@H](N6C(=O)[C@@H](N(C7=O)C)OC)NC9=CC=CC=C89)O)C1=CC=CC=C1N4
Inchi: InChI=1S/C32H32N6O7S4/c1-14(2)31-27(43)38-24-29(16-11-7-9-13-18(16)34-24)22(32(38,26(42)36(31)4)47-49-48-46-31)45-30-21(40)28(29)15-10-6-8-12-17(15)33-23(28)37(30)19(39)20(44-5)35(3)25(30)41/h6-14,20-24,33-34,40H,1-5H3/t20-,21-,22-,23-,24+,28?,29?,30-,31?,32-/m0/s1
Inchikey: XRTWKFIJLVVJBO-MCLVLSKMSA-N

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