1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:110998)

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CHEBI:110998 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

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ChEBI ID	CHEBI:110998
ChEBI Name	1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
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Formula	C31H49N5O6
Net Charge	0
Average Mass	587.762
Monoisotopic Mass	587.36828
SMILES	CCCN(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C31H49N5O6/c1-8-14-35(7)18-28-20(2)17-36(21(3)19-37)30(38)26-16-25(32-31(39)33-29-23(5)34-42-24(29)6)12-13-27(26)41-22(4)11-9-10-15-40-28/h12-13,16,20-22,28,37H,8-11,14-15,17-19H2,1-7H3,(H2,32,33,39)/t20-,21+,22+,28-/m0/s1
InChIKey	WONHJTSKSOPZKP-WBJWTPEXSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:110998) is a azamacrocycle (CHEBI:52898)
	1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:110998) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22442	LINCS