(Q105324534)

English

(3S)-1,4-Dimethyl-3alpha,6alpha-bis(methylthio)-3-[4-(prenyloxy)benzyl]piperazine-2,5-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

408.154134756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S)-1,4-Dimethyl-3alpha,6beta-bis(methylthio)-3-[4-(prenyloxy)benzyl]piperazine-2,5-dione

1 reference

based on heuristic

inferred from InChI

(3R)-1,4-Dimethyl-3-[[4-[(3-methyl-2-butenyl)oxy]phenyl]methyl]-3beta,6beta-bis(methylthio)-2,5-piperazinedione

1 reference

based on heuristic

inferred from InChI

1,4-Dimethyl-3beta,6alpha-bis(methylthio)-3-[4-[(3-methyl-2-butenyl)oxy]benzyl]piperazine-2,5-dione

1 reference

based on heuristic

inferred from InChI

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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isomeric SMILES

CS[C@H]1C(=O)N(C)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C

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found in taxon

Penicillium crustosum

1 reference

stated in

Diketopiperazines produced by endophytic fungi found in association with two Asteraceae species.

Penicillium solitum

1 reference

stated in

Diketopiperazines produced by endophytic fungi found in association with two Asteraceae species.

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/t18-,20-/m0/s1

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InChIKey

XBKBUMFBHNQOLC-ICSRJNTNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBKBUMFBHNQOLC-ICSRJNTNSA-N

1 reference

(Q105324534)

(3S)-1,4-Dimethyl-3alpha,6alpha-bis(methylthio)-3-[4-(prenyloxy)benzyl]piperazine-2,5-dione

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