1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:128579)

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CHEBI:128579 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-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:128579
ChEBI Name	1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C36H51N5O7
Net Charge	0
Average Mass	665.832
Monoisotopic Mass	665.37885
SMILES	COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C36H51N5O7/c1-23-19-41(24(2)22-42)35(43)31-18-29(37-36(44)38-34-26(4)39-48-27(34)5)13-16-32(31)47-25(3)10-8-9-17-46-33(23)21-40(6)20-28-11-14-30(45-7)15-12-28/h11-16,18,23-25,33,42H,8-10,17,19-22H2,1-7H3,(H2,37,38,44)/t23-,24-,25-,33-/m1/s1
InChIKey	MGPHRGGOYUUWIR-NZICMRGFSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:128579) is a azamacrocycle (CHEBI:52898)
	1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:128579) is a lactam (CHEBI:24995)

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