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CHEBI:106952 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

ChEBI IDCHEBI:106952
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
Stars
DownloadsMolfile
FormulaC28H43N5O6
Net Charge0
Average Mass545.681
Monoisotopic Mass545.32133
SMILESCNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C28H43N5O6/c1-17-15-33(18(2)16-34)27(35)23-13-22(30-28(36)31-26-20(4)32-39-21(26)5)10-11-24(23)38-19(3)9-7-8-12-37-25(17)14-29-6/h10-11,13,17-19,25,29,34H,7-9,12,14-16H2,1-6H3,(H2,30,31,36)/t17-,18+,19+,25+/m1/s1
InChIKeyOIOMLIQJBPNRTR-USTRSKKPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:106952) is a azamacrocycle (CHEBI:52898)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:106952) is a lactam (CHEBI:24995)
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