EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:221177 - Xenortide C

ChEBI IDCHEBI:221177
ChEBI NameXenortide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33N3O2
Net Charge0
Average Mass395.547
Monoisotopic Mass395.25728
SMILESCN[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C(C)C
InChIInChI=1S/C24H33N3O2/c1-18(2)22(25-3)24(29)27(4)21(17-20-13-9-6-10-14-20)23(28)26-16-15-19-11-7-5-8-12-19/h5-14,18,21-22,25H,15-17H2,1-4H3,(H,26,28)/t21-,22-/m0/s1
InChIKeyMXXFZXJSHIUFOL-VXKWHMMOSA-N
Species of MetaboliteComponentSourceComments
Xenorhabdus nematophila (ncbitaxon:628) - PubMed (21888371)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Xenortide C (CHEBI:221177) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-N,3-dimethyl-2-(methylamino)-N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]butanamide
Manual XrefsDatabases
58112412ChemSpider