N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:117709)

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CHEBI:117709 - N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide

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ChEBI ID	CHEBI:117709
ChEBI Name	N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C29H43N3O6S
Net Charge	0
Average Mass	561.745
Monoisotopic Mass	561.28726
SMILES	CNC[C@@H]1OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C29H43N3O6S/c1-20-9-12-25(13-10-20)39(35,36)31-24-11-14-27-26(16-24)29(34)32(22(3)19-33)18-21(2)28(17-30-5)37-15-7-6-8-23(4)38-27/h9-14,16,21-23,28,30-31,33H,6-8,15,17-19H2,1-5H3/t21-,22+,23+,28+/m1/s1
InChIKey	SKZBTEBCBLPBIZ-FZVPRWPTSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:117709) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:117709) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29158	LINCS