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CHEBI:97429 - (2S,3S,3aR,9bR)-1-ethyl-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:97429
ChEBI Name(2S,3S,3aR,9bR)-1-ethyl-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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DownloadsMolfile
FormulaC28H30FN3O4
Net Charge0
Average Mass491.563
Monoisotopic Mass491.22203
SMILESCCN1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]21
InChIInChI=1S/C28H30FN3O4/c1-3-31-25-21(22(16-33)26(31)27(34)30-14-17-8-10-18(29)11-9-17)15-32-23(25)13-12-20(28(32)35)19-6-4-5-7-24(19)36-2/h4-13,21-22,25-26,33H,3,14-16H2,1-2H3,(H,30,34)/t21-,22-,25+,26-/m0/s1
InChIKeyYMOXWRNKFBHBMI-RLBRRGQKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-ethyl-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:97429) is a phenylpyridine (CHEBI:38193)
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