Cyclo-[L-Tyr-L-Leu-D-Pro] (CHEBI:217605)

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CHEBI:217605 - Cyclo-[L-Tyr-L-Leu-D-Pro]

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ChEBI ID	CHEBI:217605
ChEBI Name	Cyclo-[L-Tyr-L-Leu-D-Pro]
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H27N3O4
Net Charge	0
Average Mass	373.453
Monoisotopic Mass	373.20016
SMILES	CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O
InChI	InChI=1S/C20H27N3O4/c1-12(2)10-16-20(27)23-9-3-4-17(23)19(26)21-15(18(25)22-16)11-13-5-7-14(24)8-6-13/h5-8,12,15-17,24H,3-4,9-11H2,1-2H3,(H,21,26)(H,22,25)/t15-,16-,17+/m0/s1
InChIKey	UWOBQRKCCVXFIG-YESZJQIVSA-N

Species of Metabolite	Component	Source	Comments
Penicillium citrinum (ncbitaxon:5077)	-	PubMed (29474977)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Cyclo-[L-Tyr-L-Leu-D-Pro] (CHEBI:217605) is a cyclic peptide (CHEBI:23449)

IUPAC Name
(3S,6S,11aR)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-2,3,5,6,9,10,11,11a-octahydropyrrolo[1,2-a][1,4,7]triazonine-1,4,7-trione

Manual Xrefs	Databases
71044322	ChemSpider