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CHEBI:126453 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

ChEBI IDCHEBI:126453
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
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DownloadsMolfile
FormulaC28H36N6O5
Net Charge0
Average Mass536.633
Monoisotopic Mass536.27472
SMILESCc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccncc1)[C@@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C28H36N6O5/c1-17-13-34(18(2)16-35)27(36)22-7-6-8-23(30-28(37)31-25-19(3)32-39-20(25)4)26(22)38-24(17)15-33(5)14-21-9-11-29-12-10-21/h6-12,17-18,24,35H,13-16H2,1-5H3,(H2,30,31,37)/t17-,18+,24+/m0/s1
InChIKeyYNYUVEOCZHZCOQ-HOOSLVGPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:126453) is a aromatic ether (CHEBI:35618)
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