N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide (CHEBI:112133)

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CHEBI:112133 - N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide

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ChEBI ID	CHEBI:112133
ChEBI Name	N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide
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Formula	C31H37F2N3O5S
Net Charge	0
Average Mass	601.716
Monoisotopic Mass	601.24220
SMILES	CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2OC[C@@H](C)N(Cc2cc(F)ccc2F)C[C@H]1C
InChI	InChI=1S/C31H37F2N3O5S/c1-20-7-6-8-26(13-20)42(38,39)34-25-10-11-27-29(15-25)41-19-22(3)36(17-23-14-24(32)9-12-28(23)33)16-21(2)30(40-5)18-35(4)31(27)37/h6-15,21-22,30,34H,16-19H2,1-5H3/t21-,22-,30-/m1/s1
InChIKey	ISBXBHMWWTXXGE-NPKFRGRUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide (CHEBI:112133) is a azamacrocycle (CHEBI:52898)
	N-[(5S,6R,9R)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide (CHEBI:112133) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-23545	LINCS