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CHEBI:98616 - methyl (2S,3S,3aR,9bR)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-pyridin-3-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate

ChEBI IDCHEBI:98616
ChEBI Namemethyl (2S,3S,3aR,9bR)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-pyridin-3-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate
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FormulaC25H24FN3O4
Net Charge0
Average Mass449.482
Monoisotopic Mass449.17508
SMILESCOC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1Cc1cccc(F)c1
InChIInChI=1S/C25H24FN3O4/c1-33-25(32)23-20(14-30)19-13-28-21(8-7-18(24(28)31)16-5-3-9-27-11-16)22(19)29(23)12-15-4-2-6-17(26)10-15/h2-11,19-20,22-23,30H,12-14H2,1H3/t19-,20-,22+,23-/m0/s1
InChIKeyQSBCJQTYLRTAIU-RLBLXZPPSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (2S,3S,3aR,9bR)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-pyridin-3-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate (CHEBI:98616) is a α-amino acid ester (CHEBI:46874)
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