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CHEBI:96141 - 3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile

ChEBI IDCHEBI:96141
ChEBI Name3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile
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FormulaC28H31N5O3
Net Charge0
Average Mass485.588
Monoisotopic Mass485.24269
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3cccc(C#N)c3)cnc2O[C@@H]1CN(C)Cc1cccnc1
InChIInChI=1S/C28H31N5O3/c1-19-15-33(20(2)18-34)28(35)25-11-24(23-8-4-6-21(10-23)12-29)14-31-27(25)36-26(19)17-32(3)16-22-7-5-9-30-13-22/h4-11,13-14,19-20,26,34H,15-18H2,1-3H3/t19-,20+,26-/m1/s1
InChIKeyZNOUXTLFAUQIIE-BVFVYWQFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile (CHEBI:96141) is a phenylpyridine (CHEBI:38193)
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