Cyclo(13,15-dichloro-L-Pro-L-Tyr) (CHEBI:215869)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Cyclo(13,15-dichloro-L-Pro-L-Tyr)

ChEBI ID	CHEBI:215869

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C14H14Cl2N2O3

Net Charge

Average Mass

329.180

Monoisotopic Mass

328.03815

InChI

InChI=1S/C14H14Cl2N2O3/c15-8-4-7(5-9(16)12(8)19)6-10-14(21)18-3-1-2-11(18)13(20)17-10/h4-5,10-11,19H,1-3,6H2,(H,17,20)/t10-,11-/m1/s1

InChIKey

QLJFYTMVYIVQDQ-GHMZBOCLSA-N

SMILES

ClC1=C(O)C(Cl)=CC(=C1)C[C@H]2NC(=O)[C@H]3CCCN3C2=O

Metabolite of Species	Details
Leptoxyphiumspecies (NCBI:txid2082953)	See: PubMed

ChEBI Ontology
Outgoing	Cyclo(13,15-dichloro-L-Pro-L-Tyr) (CHEBI:215869) has functional parent α-amino acid (CHEBI:33704) Cyclo(13,15-dichloro-L-Pro-L-Tyr) (CHEBI:215869) is a organonitrogen compound (CHEBI:35352) Cyclo(13,15-dichloro-L-Pro-L-Tyr) (CHEBI:215869) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(3R,8aR)-3-[(3,5-dichloro-4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione