EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120076 - N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide

ChEBI IDCHEBI:120076
ChEBI NameN-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide
Stars
DownloadsMolfile
FormulaC21H30N2O4
Net Charge0
Average Mass374.481
Monoisotopic Mass374.22056
SMILESC[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1
InChIInChI=1S/C21H30N2O4/c1-14(15-6-3-2-4-7-15)22-20(25)12-17-10-11-18(19(13-24)27-17)23-21(26)16-8-5-9-16/h2-4,6-7,14,16-19,24H,5,8-13H2,1H3,(H,22,25)(H,23,26)/t14-,17-,18+,19+/m0/s1
InChIKeyPHXITHQOKRDDQC-WQANXHIZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3-oxanyl]cyclobutanecarboxamide (CHEBI:120076) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-31519LINCS