Cyclo-(D-Ile-L-Trp) (CHEBI:211726)

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CHEBI:211726 - Cyclo-(D-Ile-L-Trp)

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ChEBI ID	CHEBI:211726
ChEBI Name	Cyclo-(D-Ile-L-Trp)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H21N3O2
Net Charge	0
Average Mass	299.374
Monoisotopic Mass	299.16338
SMILES	CC[C@H](C)[C@H]1NC(=O)C(Cc2cnc3ccccc23)NC1=O
InChI	InChI=1S/C17H21N3O2/c1-3-10(2)15-17(22)19-14(16(21)20-15)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,14-15,18H,3,8H2,1-2H3,(H,19,22)(H,20,21)/t10-,14?,15+/m0/s1
InChIKey	PGCNHGBQEYFZEX-KCVIPRPTSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (15730251)

ChEBI Ontology

Outgoing Relation(s)
	Cyclo-(D-Ile-L-Trp) (CHEBI:211726) has functional parent α-amino acid (CHEBI:33704)
	Cyclo-(D-Ile-L-Trp) (CHEBI:211726) is a organonitrogen compound (CHEBI:35352)
	Cyclo-(D-Ile-L-Trp) (CHEBI:211726) is a organooxygen compound (CHEBI:36963)

IUPAC Name
(3R)-3-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione

Manual Xrefs	Databases
78437449	ChemSpider