EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97887 - N-[(2R,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide

ChEBI IDCHEBI:97887
ChEBI NameN-[(2R,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide
Stars
DownloadsMolfile
FormulaC25H30N4O4
Net Charge0
Average Mass450.539
Monoisotopic Mass450.22671
SMILESO=C(N[C@@H]1C=C[C@H](CC(=O)N2CCC(Cc3ccccc3)CC2)O[C@H]1CO)c1cnccn1
InChIInChI=1S/C25H30N4O4/c30-17-23-21(28-25(32)22-16-26-10-11-27-22)7-6-20(33-23)15-24(31)29-12-8-19(9-13-29)14-18-4-2-1-3-5-18/h1-7,10-11,16,19-21,23,30H,8-9,12-15,17H2,(H,28,32)/t20-,21-,23+/m1/s1
InChIKeyUSGDOGGJJOICMT-XPNTWCBSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrazine-2-carboxamide (CHEBI:97887) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-9266LINCS