EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118166 - 2-[(2R,3R,6S)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide

ChEBI IDCHEBI:118166
ChEBI Name2-[(2R,3R,6S)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide
Stars
DownloadsMolfile
FormulaC22H31N3O4
Net Charge0
Average Mass401.507
Monoisotopic Mass401.23146
SMILESO=C(C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccccc1
InChIInChI=1S/C22H31N3O4/c26-15-20-19(25-22(28)24-17-9-5-2-6-10-17)12-11-18(29-20)13-21(27)23-14-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,17-20,26H,2,5-6,9-10,13-15H2,(H,23,27)(H2,24,25,28)/t18-,19-,20+/m1/s1
InChIKeyHHODKCKBDGVCKH-AQNXPRMDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,3R,6S)-3-[[(cyclohexylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(phenylmethyl)acetamide (CHEBI:118166) is a pyrans (CHEBI:26407)
Manual XrefsDatabases
LSM-29615LINCS