EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220218 - YM-51085

ChEBI IDCHEBI:220218
ChEBI NameYM-51085
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39N3O5
Net Charge0
Average Mass497.636
Monoisotopic Mass497.28897
SMILESCC(C)CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)Cc1ccccc1)C(C)C
InChIInChI=1S/C28H39N3O5/c1-18(2)14-25(34)30-24(16-21-10-12-23(33)13-11-21)27(35)31-26(19(3)4)28(36)29-22(17-32)15-20-8-6-5-7-9-20/h5-13,18-19,22,24,26,32-33H,14-17H2,1-4H3,(H,29,36)(H,30,34)(H,31,35)/t22-,24-,26+/m1/s1
InChIKeyDLKMHHMITXDUFJ-NOOIUNMQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3109/14756369609036538)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
YM-51085 (CHEBI:220218) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
Manual XrefsDatabases
78437652ChemSpider