EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123601 - 2-[(2S,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide

ChEBI IDCHEBI:123601
ChEBI Name2-[(2S,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide
Stars
DownloadsMolfile
FormulaC24H29N3O6
Net Charge0
Average Mass455.511
Monoisotopic Mass455.20564
SMILESC[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)c1ccccc1
InChIInChI=1S/C24H29N3O6/c1-15(16-5-3-2-4-6-16)25-23(29)12-18-8-9-19(22(13-28)33-18)27-24(30)26-17-7-10-20-21(11-17)32-14-31-20/h2-7,10-11,15,18-19,22,28H,8-9,12-14H2,1H3,(H,25,29)(H2,26,27,30)/t15-,18+,19-,22-/m1/s1
InChIKeyIDXOYAHYVHCYJQ-TWSMVNEUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide (CHEBI:123601) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-35043LINCS