CHEBI:100700 - (2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

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ChEBI Name (2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
ChEBI ID CHEBI:100700
Stars This entity has been manually annotated by a third party.
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Formula C25H24FN3O4
Net Charge 0
Average Mass 449.475
Monoisotopic Mass 449.17508
InChI InChI=1S/C25H24FN3O4/c1-33-25(32)23-19(14-30)18-13-28-21(22(18)29(23)12-15-8-10-27-11-9-15)7-6-17(24(28)31)16-4-2-3-5-20(16)26/h2-11,18-19,22-23,30H,12-14H2,1H3/t18-,19-,22+,23-/m1/s1
InChIKey SOHXSUHWQBDTJV-PJIZGREPSA-N
SMILES COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4F)[C@H]2N1CC5=CC=NC=C5)CO
ChEBI Ontology
Outgoing (2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100700) is a α-amino acid ester (CHEBI:46874)
Manual Xref Database
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