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CHEBI:109972 - (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:109972
ChEBI Name(2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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FormulaC28H39N3O4
Net Charge0
Average Mass481.637
Monoisotopic Mass481.29406
SMILESCOc1cccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCC2)O3)c1
InChIInChI=1S/C28H39N3O4/c1-19-15-31(20(2)18-32)28(33)25-13-23(22-10-7-11-24(12-22)34-4)14-29-27(25)35-26(19)17-30(3)16-21-8-5-6-9-21/h7,10-14,19-21,26,32H,5-6,8-9,15-18H2,1-4H3/t19-,20+,26+/m1/s1
InChIKeyIDUFABHFDSGNRC-GOHWNWGWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:109972) is a phenylpyridine (CHEBI:38193)
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