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CHEBI:102100 - (2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:102100
ChEBI Name(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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DownloadsMolfile
FormulaC28H34FN3O4
Net Charge0
Average Mass495.595
Monoisotopic Mass495.25333
SMILESO=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1CC1CCOCC1
InChIInChI=1S/C28H34FN3O4/c29-20-3-1-2-19(12-20)21-6-7-24-25-22(15-31(24)28(21)35)23(16-33)26(27(34)30-13-17-4-5-17)32(25)14-18-8-10-36-11-9-18/h1-3,6-7,12,17-18,22-23,25-26,33H,4-5,8-11,13-16H2,(H,30,34)/t22-,23-,25+,26-/m0/s1
InChIKeyQQHZYPMPDOLVNZ-LJCOXQHRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-(4-oxanylmethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102100) is a phenylpyridine (CHEBI:38193)
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