CHEBI:111823 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

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ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea ChEBI ID CHEBI:111823 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H31N5O5 Net Charge 0 Average Mass 445.513 Monoisotopic Mass 445.23252 InChI InChI=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 InChIKey HGTBFUICODGLJG-WTOJCKNJSA-N SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@@H]1CNC)[C@@H](C)CO ChEBI Ontology Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:111823) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-23236 LINCS View more database links