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CHEBI:131149 - 5-hexynoic acid [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] ester

ChEBI IDCHEBI:131149
ChEBI Name5-hexynoic acid [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] ester
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DownloadsMolfile
FormulaC32H40FN3O2
Net Charge0
Average Mass517.689
Monoisotopic Mass517.31046
SMILESC#CCCCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3n2)CCc2cc(F)ccc2[C@@H]1C(C)C
InChIInChI=1S/C32H40FN3O2/c1-5-6-7-14-30(37)38-32(18-17-24-22-25(33)15-16-26(24)31(32)23(2)3)19-21-36(4)20-10-13-29-34-27-11-8-9-12-28(27)35-29/h1,8-9,11-12,15-16,22-23,31H,6-7,10,13-14,17-21H2,2-4H3,(H,34,35)/t31-,32-/m0/s1
InChIKeyOABOGSNSFFILOA-ACHIHNKUSA-N
ChEBI Ontology
Outgoing Relation(s)
5-hexynoic acid [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] ester (CHEBI:131149) is a tetralins (CHEBI:36786)
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