(5S,6R,9R)-N-(3-chlorophenyl)-14-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide (CHEBI:106728)

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CHEBI:106728 - (5S,6R,9R)-N-(3-chlorophenyl)-14-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide

Default Structure

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ChEBI ID	CHEBI:106728
ChEBI Name	(5S,6R,9R)-N-(3-chlorophenyl)-14-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
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Formula	C30H37ClN6O6
Net Charge	0
Average Mass	613.115
Monoisotopic Mass	612.24631
SMILES	CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(C(=O)Nc2cccc(Cl)c2)C[C@H]1C
InChI	InChI=1S/C30H37ClN6O6/c1-17-14-37(30(40)33-22-9-7-8-21(31)12-22)18(2)16-42-25-13-23(32-29(39)34-27-19(3)35-43-20(27)4)10-11-24(25)28(38)36(5)15-26(17)41-6/h7-13,17-18,26H,14-16H2,1-6H3,(H,33,40)(H2,32,34,39)/t17-,18-,26-/m1/s1
InChIKey	CUIFKVZJUKDGLK-UYPAYLBCSA-N

ChEBI Ontology

Outgoing Relation(s)
	(5S,6R,9R)-N-(3-chlorophenyl)-14-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide (CHEBI:106728) is a azamacrocycle (CHEBI:52898)
	(5S,6R,9R)-N-(3-chlorophenyl)-14-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide (CHEBI:106728) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18084	LINCS