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CHEBI:215253 - 2R, 3R-dioxeto-Cyclo-(L-Trp-L-Phe)

ChEBI IDCHEBI:215253
ChEBI Name2R, 3R-dioxeto-Cyclo-(L-Trp-L-Phe)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19N3O4
Net Charge0
Average Mass365.389
Monoisotopic Mass365.13756
SMILESO=C1N[C@@H](CC23OO[C@H]2Nc2ccccc23)C(=O)N[C@H]1Cc1ccccc1
InChIInChI=1S/C20H19N3O4/c24-17-15(10-12-6-2-1-3-7-12)21-18(25)16(22-17)11-20-13-8-4-5-9-14(13)23-19(20)26-27-20/h1-9,15-16,19,23H,10-11H2,(H,21,25)(H,22,24)/t15-,16-,19+,20?/m0/s1
InChIKeyXUBXAEDFVKDGRD-CAHGDOEDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2018.07.013)
ChEBI Ontology
Outgoing Relation(s)
2R, 3R-dioxeto-Cyclo-(L-Trp-L-Phe) (CHEBI:215253) has functional parent α-amino acid (CHEBI:33704)
2R, 3R-dioxeto-Cyclo-(L-Trp-L-Phe) (CHEBI:215253) is a organonitrogen compound (CHEBI:35352)
2R, 3R-dioxeto-Cyclo-(L-Trp-L-Phe) (CHEBI:215253) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-[[(2aR)-2a,3-dihydrodioxeto[3,4-b]indol-7b-yl]methyl]-6-benzylpiperazine-2,5-dione