N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:127953)

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CHEBI:127953 - N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

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ChEBI ID	CHEBI:127953
ChEBI Name	N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H54N4O7
Net Charge	0
Average Mass	666.860
Monoisotopic Mass	666.39925
SMILES	COc1ccc(NC(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C37H54N4O7/c1-25-22-41(26(2)24-42)36(44)32-21-30(38-35(43)28-12-7-6-8-13-28)16-19-33(32)48-27(3)11-9-10-20-47-34(25)23-40(4)37(45)39-29-14-17-31(46-5)18-15-29/h14-19,21,25-28,34,42H,6-13,20,22-24H2,1-5H3,(H,38,43)(H,39,45)/t25-,26+,27-,34-/m0/s1
InChIKey	SSDPHNXAXFTDFA-FBTROWELSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:127953) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:127953) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39509	LINCS