(Q105324536)

English

1,4-Dimethyl-3-[4-(3-methyl-2-butenyloxy)benzyl]-3,6-bis(methylthio)piperazine-2,5-dione

group of stereoisomers with the chemical formula C₂₀H₂₈N₂O₃S₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

408.154134756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈N₂O₃S₂

0 references

canonical SMILES

O=C1N(C)C(SC)(C(=O)N(C)C1SC)CC2=CC=C(OCC=C(C)C)C=C2

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found in taxon

Penicillium crustosum

1 reference

stated in

Citromycetins and bilains A-C: new aromatic polyketides and diketopiperazines from Australian marine-derived and terrestrial Penicillium spp.

Penicillium solitum

1 reference

stated in

Citromycetins and bilains A-C: new aromatic polyketides and diketopiperazines from Australian marine-derived and terrestrial Penicillium spp.

Identifiers

InChI

InChI=1S/C20H28N2O3S2/c1-14(2)11-12-25-16-9-7-15(8-10-16)13-20(27-6)19(24)21(3)18(26-5)17(23)22(20)4/h7-11,18H,12-13H2,1-6H3

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InChIKey

XBKBUMFBHNQOLC-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBKBUMFBHNQOLC-UHFFFAOYSA-N

1 reference

(Q105324536)

1,4-Dimethyl-3-[4-(3-methyl-2-butenyloxy)benzyl]-3,6-bis(methylthio)piperazine-2,5-dione

Statements

Identifiers

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