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CHEBI:100756 - (2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:100756
ChEBI Name(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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DownloadsMolfile
FormulaC28H32FN3O4
Net Charge0
Average Mass493.579
Monoisotopic Mass493.23768
SMILESCCC(=O)N1[C@H](C(=O)NCc2ccc(F)cc2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21
InChIInChI=1S/C28H32FN3O4/c1-2-24(34)32-25-21(15-31-23(25)13-12-20(28(31)36)18-6-4-3-5-7-18)22(16-33)26(32)27(35)30-14-17-8-10-19(29)11-9-17/h6,8-13,21-22,25-26,33H,2-5,7,14-16H2,1H3,(H,30,35)/t21-,22-,25+,26-/m0/s1
InChIKeyYUSKIZLEIJYDDG-RLBRRGQKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:100756) is a amino acid amide (CHEBI:22475)
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