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CHEBI:96710 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:96710
ChEBI Name1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC28H36N4O5
Net Charge0
Average Mass508.619
Monoisotopic Mass508.26857
SMILESCOc1ccccc1NC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C28H36N4O5/c1-18(2)11-12-21-13-22-26(29-14-21)37-25(19(3)15-32(27(22)34)20(4)17-33)16-31(5)28(35)30-23-9-7-8-10-24(23)36-6/h7-10,13-14,18-20,25,33H,15-17H2,1-6H3,(H,30,35)/t19-,20+,25+/m1/s1
InChIKeyKPXBVFREPGCPQF-RNHFSVANSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea (CHEBI:96710) is a ureas (CHEBI:47857)
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