(Q105021632)

English

(1S,4R,7R,9S)-9-hydroxy-1-(2-methylbut-3-en-2-yl)-4-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic 2,5-diketopiperazine

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chaetocin-like alkaloid

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mass

524.278741012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₆N₄O₃

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canonical SMILES

C=CC(C)(C)c1[nH]c2ccccc2c1CC1NC(=O)C2CC3(O)c4ccccc4NC3(C(C)(C)C=C)N2C1=O

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isomeric SMILES

C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H]1NC(=O)[C@H]2C[C@]3(O)c4ccccc4N[C@@]3(C(C)(C)C=C)N2C1=O

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found in taxon

Penicillium dierckxii

1 reference

stated in

New diketopiperazine alkaloids from Penicillium fellutanum

Identifiers

InChI

InChI=1S/C32H36N4O3/c1-7-29(3,4)26-20(19-13-9-11-15-22(19)33-26)17-24-28(38)36-25(27(37)34-24)18-31(39)21-14-10-12-16-23(21)35-32(31,36)30(5,6)8-2/h7-16,24-25,33,35,39H,1-2,17-18H2,3-6H3,(H,34,37)/t24-,25-,31+,32+/m1/s1

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InChIKey

GVSNYEKORODCDK-PKVSMLHLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GVSNYEKORODCDK-PKVSMLHLSA-N

(Q105021632)

(1S,4R,7R,9S)-9-hydroxy-1-(2-methylbut-3-en-2-yl)-4-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Statements

Identifiers

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