CHEBI:113970 - 3-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

ChEBI IDCHEBI:113970
ChEBI Name3-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide
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FormulaC29H32FN3O4
Net Charge0
Average Mass505.590
Monoisotopic Mass505.23768
SMILESCc1ccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)c2cccc(F)c2)O3)cc1
InChIInChI=1S/C29H32FN3O4/c1-18-8-10-21(11-9-18)23-13-25-27(31-14-23)37-26(19(2)15-33(29(25)36)20(3)17-34)16-32(4)28(35)22-6-5-7-24(30)12-22/h5-14,19-20,26,34H,15-17H2,1-4H3/t19-,20-,26+/m0/s1
InChIKeyWIHAZNHSVPJONK-CUVVAGTFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide (CHEBI:113970) is a phenylpyridine (CHEBI:38193)
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