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CHEBI:96403 - 3-cyclohexyl-1-[[(2R,3S)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

Default Structure
ChEBI IDCHEBI:96403
ChEBI Name3-cyclohexyl-1-[[(2R,3S)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
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DownloadsMolfile
FormulaC30H37FN4O4
Net Charge0
Average Mass536.648
Monoisotopic Mass536.27988
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2ncc(C#Cc3cccc(F)c3)cc2C1=O
InChIInChI=1S/C30H37FN4O4/c1-20-17-35(21(2)19-36)29(37)26-15-23(13-12-22-8-7-9-24(31)14-22)16-32-28(26)39-27(20)18-34(3)30(38)33-25-10-5-4-6-11-25/h7-9,14-16,20-21,25,27,36H,4-6,10-11,17-19H2,1-3H3,(H,33,38)/t20-,21+,27-/m0/s1
InChIKeyQTWXHTQUMWQINH-ISCCLHIJSA-N
ChEBI Ontology
Outgoing Relation(s)
3-cyclohexyl-1-[[(2R,3S)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:96403) is a organofluorine compound (CHEBI:37143)
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