(Q105170469)

English

(1S,2S,3R,11R,14R)-2-hydroxy-3-(1H-indol-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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-hydroxy-3-(1H-indol-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

1 reference

based on heuristic

inferred from SMILES

mass

464.0976825 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₀N₄O₃S₂

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canonical SMILES

O=C1N(C)C2(SSC13N(C2=O)C4NC=5C=CC=CC5C4(C6=CNC=7C=CC=CC76)C3O)C

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isomeric SMILES

CN1C(=O)[C@]23SS[C@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O

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found in taxon

Clonostachys rosea

1 reference

stated in

Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum

Gliocladium roseum

1 reference

stated in

Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum

Identifiers

InChI

InChI=1S/C23H20N4O3S2/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21+,22+,23-/m0/s1

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InChIKey

MRBZKCMQZBKXMZ-HMKLVTIHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MRBZKCMQZBKXMZ-HMKLVTIHSA-N

1 reference

(Q105170469)

(1S,2S,3R,11R,14R)-2-hydroxy-3-(1H-indol-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

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