EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98475 - 2-[(2S,3R,6S)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide

ChEBI IDCHEBI:98475
ChEBI Name2-[(2S,3R,6S)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC20H29N3O5
Net Charge0
Average Mass391.468
Monoisotopic Mass391.21072
SMILESCOc1ccccc1CNC(=O)C[C@H]1C=C[C@@H](NC(=O)CN(C)C)[C@@H](CO)O1
InChIInChI=1S/C20H29N3O5/c1-23(2)12-20(26)22-16-9-8-15(28-18(16)13-24)10-19(25)21-11-14-6-4-5-7-17(14)27-3/h4-9,15-16,18,24H,10-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16-,18-/m1/s1
InChIKeyYJKUDHPPBXQQCK-JFIYKMOQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,3R,6S)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:98475) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-9854LINCS