CHEBI:123696 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
ChEBI ID CHEBI:123696
Stars This entity has been manually annotated by a third party.
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Formula C23H33N5O5
Net Charge 0
Average Mass 459.540
Monoisotopic Mass 459.24817
InChI InChI=1S/C23H33N5O5/c1-13-11-28(14(2)12-29)21(30)9-17-8-18(6-7-19(17)32-20(13)10-24-5)25-23(31)26-22-15(3)27-33-16(22)4/h6-8,13-14,20,24,29H,9-12H2,1-5H3,(H2,25,26,31)/t13-,14-,20-/m1/s1
InChIKey GJSCVGWEXUPFQW-ARGWCVDVSA-N
SMILES C[C@@H]1CN(C(=O)CC2=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,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:123696) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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