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CHEBI:106173 - (2S,3S)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:106173
ChEBI Name(2S,3S)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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FormulaC27H36FN3O4
Net Charge0
Average Mass485.600
Monoisotopic Mass485.26898
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3cccc(F)c3)cnc2O[C@@H]1CN(C)CC1CCOCC1
InChIInChI=1S/C27H36FN3O4/c1-18-14-31(19(2)17-32)27(33)24-12-22(21-5-4-6-23(28)11-21)13-29-26(24)35-25(18)16-30(3)15-20-7-9-34-10-8-20/h4-6,11-13,18-20,25,32H,7-10,14-17H2,1-3H3/t18-,19-,25+/m0/s1
InChIKeyIPGCYDACBMVSLM-XHNVNVPESA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106173) is a phenylpyridine (CHEBI:38193)
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