(Q105006445)

English

(1R,4S,5R,6R,9S,11R,14S,15R,16R,19S)-5,15-dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

chemical compound

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instance of

type of chemical entity

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subclass of

5,15-Dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

488.02042036 dalton

1 reference

1 reference

C₁₈H₂₀N₂O₆S₄

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canonical SMILES

O=C1CC(S)C(O)C2N3C(=O)C45SSC3(C(=O)N5C6C(O)C(S)CC(=O)C6C4)CC12

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isomeric SMILES

O=C1C[C@@H](S)[C@H](O)[C@@H]2[C@@H]1C[C@@]13SS[C@]4(C[C@@H]5C(=O)C[C@@H](S)[C@H](O)[C@H]5N4C1=O)C(=O)N23

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found in taxon

Exserohilum rostratum

1 reference

stated in

Isolation and structure assignments of rostratins A-D, cytotoxic disulfides produced by the marine-derived fungus Exserohilum rostratum

Identifiers

InChI

InChI=1S/C18H20N2O6S4/c21-7-1-9(27)13(23)11-5(7)3-17-15(25)20-12-6(8(22)2-10(28)14(12)24)4-18(20,30-29-17)16(26)19(11)17/h5-6,9-14,23-24,27-28H,1-4H2/t5-,6-,9-,10-,11+,12+,13+,14+,17-,18-/m1/s1

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InChIKey

GCSPJPVOPHGWRM-SGUUEDPQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105006445)

(1R,4S,5R,6R,9S,11R,14S,15R,16R,19S)-5,15-dihydroxy-6,16-bis(sulfanyl)-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

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