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CHEBI:123986 - 1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:123986
ChEBI Name1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
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DownloadsMolfile
FormulaC29H41N5O4
Net Charge0
Average Mass523.678
Monoisotopic Mass523.31585
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C29H41N5O4/c1-20-16-34(21(2)19-35)28(36)25-15-24(32-29(37)31-23-7-5-4-6-8-23)9-10-26(25)38-27(20)18-33(3)17-22-11-13-30-14-12-22/h9-15,20-21,23,27,35H,4-8,16-19H2,1-3H3,(H2,31,32,37)/t20-,21-,27-/m0/s1
InChIKeyYVEASBWYPHDRCF-IZVMNLJQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:123986) is a aromatic ether (CHEBI:35618)
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