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CHEBI:110093 - 2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-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-methylacetamide

ChEBI IDCHEBI:110093
ChEBI Name2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-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-methylacetamide
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FormulaC26H36N4O4
Net Charge0
Average Mass468.598
Monoisotopic Mass468.27366
SMILESCc1ccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CN(C)C)O3)cc1
InChIInChI=1S/C26H36N4O4/c1-17-7-9-20(10-8-17)21-11-22-25(27-12-21)34-23(14-29(6)24(32)15-28(4)5)18(2)13-30(26(22)33)19(3)16-31/h7-12,18-19,23,31H,13-16H2,1-6H3/t18-,19-,23-/m1/s1
InChIKeyLXUHOAUTESRKLV-DNVFCKCGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-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-methylacetamide (CHEBI:110093) is a phenylpyridine (CHEBI:38193)
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