CHEBI:108620 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea ChEBI ID CHEBI:108620 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)16-7-6-8-17(20(16)31-18(12)9-23-5)24-22(30)25-19-14(3)26-32-15(19)4/h6-8,12-13,18,23,28H,9-11H2,1-5H3,(H2,24,25,30)/t12-,13+,18-/m0/s1 InChIKey MPDMLCBONFVZSW-JCGVRSQUSA-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-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:108620) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-20020 LINCS View more database links