N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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]benzenesulfonamide (CHEBI:104728)

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CHEBI:104728 - N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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]benzenesulfonamide

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ChEBI ID	CHEBI:104728
ChEBI Name	N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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]benzenesulfonamide
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Formula	C29H43N3O6S
Net Charge	0
Average Mass	561.745
Monoisotopic Mass	561.28726
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C
InChI	InChI=1S/C29H43N3O6S/c1-21-18-32(22(2)20-33)29(34)26-17-24(30-39(35,36)25-12-7-6-8-13-25)14-15-27(26)38-23(3)11-9-10-16-37-28(21)19-31(4)5/h6-8,12-15,17,21-23,28,30,33H,9-11,16,18-20H2,1-5H3/t21-,22-,23+,28-/m1/s1
InChIKey	DKJIIKWCTXJSNY-SQVYLTPJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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]benzenesulfonamide (CHEBI:104728) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-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]benzenesulfonamide (CHEBI:104728) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-16091	LINCS