EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101591 - N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide

ChEBI IDCHEBI:101591
ChEBI NameN-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
Stars
DownloadsMolfile
FormulaC20H38N4O4
Net Charge0
Average Mass398.548
Monoisotopic Mass398.28931
SMILESCC(C)NC(=O)NCC[C@H]1CC[C@H](NC(=O)CCN2CCCCC2)[C@H](CO)O1
InChIInChI=1S/C20H38N4O4/c1-15(2)22-20(27)21-10-8-16-6-7-17(18(14-25)28-16)23-19(26)9-13-24-11-4-3-5-12-24/h15-18,25H,3-14H2,1-2H3,(H,23,26)(H2,21,22,27)/t16-,17+,18+/m1/s1
InChIKeyJVYCUASVIANWPE-SQNIBIBYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide (CHEBI:101591) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-12954LINCS