CHEBI:102833 - (2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(3-pyridinyl)-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)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
ChEBI ID CHEBI:102833
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)23-20(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-/m1/s1
InChIKey QSBCJQTYLRTAIU-YXPKMTABSA-N
SMILES COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CC=C4)[C@H]2N1CC5=CC(=CC=C5)F)CO
ChEBI Ontology
Outgoing (2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:102833) is a α-amino acid ester (CHEBI:46874)
Manual Xref Database
LSM-14179 LINCS
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