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CHEBI:98512 - (2S,3S,3aR,9bR)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:98512
ChEBI Name(2S,3S,3aR,9bR)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
Stars
DownloadsMolfile
FormulaC28H32N4O4
Net Charge0
Average Mass488.588
Monoisotopic Mass488.24236
SMILESO=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1cocn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H32N4O4/c33-16-23-22-15-31-24(7-4-8-25(31)34)26(22)32(14-21-17-36-18-29-21)27(23)28(35)30-11-9-20(10-12-30)13-19-5-2-1-3-6-19/h1-8,17-18,20,22-23,26-27,33H,9-16H2/t22-,23-,26+,27-/m0/s1
InChIKeyYCNDEIYRXZASMY-IDJLGEMNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-2-(4-benzylpiperidine-1-carbonyl)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one (CHEBI:98512) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-9891LINCS