N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide (CHEBI:115848)

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CHEBI:115848 - N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-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:115848
ChEBI Name	N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C31H38N4O6S
Net Charge	0
Average Mass	594.734
Monoisotopic Mass	594.25121
SMILES	CO[C@@H]1CN(C)C(=O)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2OC[C@@H](C)N(C(=O)Cc2cccnc2)C[C@H]1C
InChI	InChI=1S/C31H38N4O6S/c1-21-8-6-10-26(14-21)42(38,39)33-25-11-12-27-28(16-25)41-20-23(3)35(30(36)15-24-9-7-13-32-17-24)18-22(2)29(40-5)19-34(4)31(27)37/h6-14,16-17,22-23,29,33H,15,18-20H2,1-5H3/t22-,23-,29-/m1/s1
InChIKey	YAWHVHOWVVLDOZ-VDWGHMIBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide (CHEBI:115848) is a azamacrocycle (CHEBI:52898)
	N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[1-oxo-2-(3-pyridinyl)ethyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methylbenzenesulfonamide (CHEBI:115848) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-27305	LINCS