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CHEBI:226343 - Trichocyclodipeptide C

ChEBI IDCHEBI:226343
ChEBI NameTrichocyclodipeptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32N4O6
Net Charge0
Average Mass424.498
Monoisotopic Mass424.23218
SMILESCC(=O)NCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)C=C(C)CCOC(C)=O)NC1=O
InChIInChI=1S/C20H32N4O6/c1-13(8-11-30-15(3)26)12-18(27)22-10-5-7-17-20(29)23-16(19(28)24-17)6-4-9-21-14(2)25/h12,16-17H,4-11H2,1-3H3,(H,21,25)(H,22,27)(H,23,29)(H,24,28)/t16-,17-/m0/s1
InChIKeyVGYFZLSKHWRJHX-IRXDYDNUSA-N
Species of MetaboliteComponentSourceComments
Stagonospora trichophoricola (ncbitaxon:1508255) - PubMed (28676717)
ChEBI Ontology
Outgoing Relation(s)
Trichocyclodipeptide C (CHEBI:226343) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
[5-[3-[(2S,5S)-5-(3-acetamidopropyl)-3,6-dioxopiperazin-2-yl]propylamino]-3-methyl-5-oxopent-3-enyl] acetate