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CHEBI:96061 - (2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:96061
ChEBI Name(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-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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FormulaC28H39N3O5
Net Charge0
Average Mass497.636
Monoisotopic Mass497.28897
SMILESCOc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CC1CCOCC1)O2
InChIInChI=1S/C28H39N3O5/c1-19-15-31(20(2)18-32)28(33)24-13-22(23-7-5-6-8-25(23)34-4)14-29-27(24)36-26(19)17-30(3)16-21-9-11-35-12-10-21/h5-8,13-14,19-21,26,32H,9-12,15-18H2,1-4H3/t19-,20-,26+/m0/s1
InChIKeyBVGZNQUUZDWJPB-CUVVAGTFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:96061) is a phenylpyridine (CHEBI:38193)
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