EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123597 - N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide

ChEBI IDCHEBI:123597
ChEBI NameN-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
Stars
DownloadsMolfile
FormulaC21H31N3O4
Net Charge0
Average Mass389.496
Monoisotopic Mass389.23146
SMILESCC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NC2Cc3ccccc3C2)O[C@H]1CO
InChIInChI=1S/C21H31N3O4/c1-13(2)22-21(27)24-18-8-7-17(28-19(18)12-25)11-20(26)23-16-9-14-5-3-4-6-15(14)10-16/h3-6,13,16-19,25H,7-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t17-,18+,19+/m1/s1
InChIKeyVEDLKNWKQGCWOE-QYZOEREBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide (CHEBI:123597) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-35039LINCS