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CHEBI:127123 - 4-[(2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile

ChEBI IDCHEBI:127123
ChEBI Name4-[(2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile
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DownloadsMolfile
FormulaC28H36N4O3
Net Charge0
Average Mass476.621
Monoisotopic Mass476.27874
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCC2)Oc2ncc(-c3ccc(C#N)cc3)cc2C1=O
InChIInChI=1S/C28H36N4O3/c1-19-15-32(20(2)18-33)28(34)25-12-24(23-10-8-21(13-29)9-11-23)14-30-27(25)35-26(19)17-31(3)16-22-6-4-5-7-22/h8-12,14,19-20,22,26,33H,4-7,15-18H2,1-3H3/t19-,20+,26+/m0/s1
InChIKeyJTLHUKUBYFYIPQ-OUDXUNEISA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2S,3S)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile (CHEBI:127123) is a phenylpyridine (CHEBI:38193)
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