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CHEBI:110119 - 1-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:110119
ChEBI Name1-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
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DownloadsMolfile
FormulaC30H38N4O4
Net Charge0
Average Mass518.658
Monoisotopic Mass518.28931
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3CCCCC3)cnc2O[C@H]1CN(C)C(=O)Nc1ccccc1
InChIInChI=1S/C30H38N4O4/c1-21-18-34(22(2)20-35)29(36)26-16-24(15-14-23-10-6-4-7-11-23)17-31-28(26)38-27(21)19-33(3)30(37)32-25-12-8-5-9-13-25/h5,8-9,12-13,16-17,21-23,27,35H,4,6-7,10-11,18-20H2,1-3H3,(H,32,37)/t21-,22+,27+/m1/s1
InChIKeyRGYLHRJGNKTVCX-VHSZZVNMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:110119) is a ureas (CHEBI:47857)
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