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CHEBI:95835 - (2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:95835
ChEBI Name(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC29H32FN3O5
Net Charge0
Average Mass521.589
Monoisotopic Mass521.23260
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ncc(-c3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C29H32FN3O5/c1-18-13-33(19(2)16-34)29(35)24-11-22(21-5-7-23(30)8-6-21)12-31-28(24)38-27(18)15-32(3)14-20-4-9-25-26(10-20)37-17-36-25/h4-12,18-19,27,34H,13-17H2,1-3H3/t18-,19+,27-/m0/s1
InChIKeyPFISLOLGZUKACY-CUMRGQLISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:95835) is a phenylpyridine (CHEBI:38193)
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