EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122322 - N-cyclohexyl-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[(4-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide

ChEBI IDCHEBI:122322
ChEBI NameN-cyclohexyl-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[(4-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
Stars
DownloadsMolfile
FormulaC22H31N3O5
Net Charge0
Average Mass417.506
Monoisotopic Mass417.22637
SMILESCOc1ccc(NC(=O)N[C@@H]2C=C[C@@H](CC(=O)NC3CCCCC3)O[C@@H]2CO)cc1
InChIInChI=1S/C22H31N3O5/c1-29-17-9-7-16(8-10-17)24-22(28)25-19-12-11-18(30-20(19)14-26)13-21(27)23-15-5-3-2-4-6-15/h7-12,15,18-20,26H,2-6,13-14H2,1H3,(H,23,27)(H2,24,25,28)/t18-,19+,20+/m0/s1
InChIKeyKHPOILJWMXIQKX-XUVXKRRUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-cyclohexyl-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[(4-methoxyanilino)-oxomethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide (CHEBI:122322) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-33765LINCS