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CHEBI:124336 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:124336
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
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FormulaC22H31N5O5
Net Charge0
Average Mass445.520
Monoisotopic Mass445.23252
SMILESCNC[C@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C22H31N5O5/c1-12-10-27(13(2)11-28)21(29)17-8-16(6-7-18(17)31-19(12)9-23-5)24-22(30)25-20-14(3)26-32-15(20)4/h6-8,12-13,19,23,28H,9-11H2,1-5H3,(H2,24,25,30)/t12-,13+,19+/m0/s1
InChIKeyHGTBFUICODGLJG-XEKQOVJPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:124336) is a aromatic ether (CHEBI:35618)
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