CHEBI:101831 - (2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid

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ChEBI Name (2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
ChEBI ID CHEBI:101831
Stars This entity has been manually annotated by a third party.
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Formula C19H19FN2O6S
Net Charge 0
Average Mass 422.429
Monoisotopic Mass 422.09479
InChI InChI=1S/C19H19FN2O6S/c1-29(27,28)22-16-13(14(9-23)17(22)19(25)26)8-21-15(16)7-6-12(18(21)24)10-2-4-11(20)5-3-10/h2-7,13-14,16-17,23H,8-9H2,1H3,(H,25,26)/t13-,14-,16+,17-/m1/s1
InChIKey PCISDUIZPJCQMU-TXCZRRACSA-N
SMILES CS(=O)(=O)N1[C@H]2[C@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]([C@@H]1C(=O)O)CO
ChEBI Ontology
Outgoing (2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid (CHEBI:101831) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-13193 LINCS
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