(Q104171226)

English

12-(2-Methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione

group of stereoisomers with the chemical formula C₂₁H₂₃N₃O₂

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Statements

group of stereoisomers

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chaetocin-like alkaloid

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chaetocin-like alkaloid

biogenic 2,5-diketopiperazine

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biogenic 2,5-diketopiperazine

349.427 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₃N₃O₂

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canonical SMILES

O=C1N2CCCC2C(=O)N3C(C=C(C)C)C=4NC=5C=CC=CC5C4CC13

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Identifiers

InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3

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LQXCSIKDOISJTI-UHFFFAOYSA-N

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1 reference

26 December 2021

UniChem compound ID

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Human Metabolome Database ID

1 reference

based on heuristic

inferred from InChIKey

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