1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:128449)

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CHEBI:128449 - 1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

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ChEBI ID	CHEBI:128449
ChEBI Name	1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C35H55N5O6
Net Charge	0
Average Mass	641.854
Monoisotopic Mass	641.41523
SMILES	Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CCCCC1)OCCCC[C@H](C)O2
InChI	InChI=1S/C35H55N5O6/c1-23-19-40(24(2)22-41)34(42)30-18-29(36-35(43)37-33-26(4)38-46-27(33)5)15-16-31(30)45-25(3)12-10-11-17-44-32(23)21-39(6)20-28-13-8-7-9-14-28/h15-16,18,23-25,28,32,41H,7-14,17,19-22H2,1-6H3,(H2,36,37,43)/t23-,24+,25+,32+/m1/s1
InChIKey	OEXHVNKOXFJQTP-OWNVZFKLSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:128449) is a azamacrocycle (CHEBI:52898)
	1-[(3S,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:128449) is a lactam (CHEBI:24995)

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