Xenortide B (CHEBI:212671)

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CHEBI:212671 - Xenortide B

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ChEBI ID	CHEBI:212671
ChEBI Name	Xenortide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H36N4O2
Net Charge	0
Average Mass	448.611
Monoisotopic Mass	448.28383
SMILES	CN[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1cnc2ccccc12
InChI	InChI=1S/C27H36N4O2/c1-19(2)16-24(28-3)27(33)31(4)25(17-20-10-6-5-7-11-20)26(32)29-15-14-21-18-30-23-13-9-8-12-22(21)23/h5-13,18-19,24-25,28,30H,14-17H2,1-4H3,(H,29,32)/t24-,25-/m0/s1
InChIKey	SOIIKURIVIWMKK-DQEYMECFSA-N

Species of Metabolite	Component	Source	Comments
Xenorhabdus (ncbitaxon:626)	-	PubMed (18491867)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Xenortide B (CHEBI:212671) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethyl-2-(methylamino)pentanamide

Manual Xrefs	Databases
24701785	ChemSpider