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CHEBI:127971 - (2R,3S)-8-(1-cyclohexenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:127971
ChEBI Name(2R,3S)-8-(1-cyclohexenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC28H36FN3O3
Net Charge0
Average Mass481.612
Monoisotopic Mass481.27407
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCCC3)cnc2O[C@H]1CN(C)Cc1ccccc1F
InChIInChI=1S/C28H36FN3O3/c1-19-15-32(20(2)18-33)28(34)24-13-23(21-9-5-4-6-10-21)14-30-27(24)35-26(19)17-31(3)16-22-11-7-8-12-25(22)29/h7-9,11-14,19-20,26,33H,4-6,10,15-18H2,1-3H3/t19-,20-,26-/m0/s1
InChIKeyVXJHNJFFJGWPLE-DYLHXGEVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-8-(1-cyclohexenyl)-2-[[(2-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:127971) is a aromatic amine (CHEBI:33860)
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