EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97695 - (2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-N-(2-piperidin-1-ylethyl)-1-(pyridin-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:97695
ChEBI Name(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-N-(2-piperidin-1-ylethyl)-1-(pyridin-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC25H33N5O3
Net Charge0
Average Mass451.571
Monoisotopic Mass451.25834
SMILESO=C(NCCN1CCCCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccccn1
InChIInChI=1S/C25H33N5O3/c31-17-20-19-16-29-21(8-6-9-22(29)32)23(19)30(15-18-7-2-3-10-26-18)24(20)25(33)27-11-14-28-12-4-1-5-13-28/h2-3,6-10,19-20,23-24,31H,1,4-5,11-17H2,(H,27,33)/t19-,20-,23+,24-/m0/s1
InChIKeyKUOHVPUFFVLNET-JVODISISSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-N-(2-piperidin-1-ylethyl)-1-(pyridin-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:97695) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-9074LINCS