N-[(3R,9S,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]methanesulfonamide (CHEBI:117613)

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CHEBI:117613 - N-[(3R,9S,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]methanesulfonamide

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ChEBI ID	CHEBI:117613
ChEBI Name	N-[(3R,9S,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]methanesulfonamide
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Downloads	Molfile

Formula	C23H39N3O6S
Net Charge	0
Average Mass	485.647
Monoisotopic Mass	485.25596
SMILES	CNC[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(C)(=O)=O)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C23H39N3O6S/c1-16-14-26(17(2)15-27)23(28)20-12-19(25-33(5,29)30)9-10-21(20)32-18(3)8-6-7-11-31-22(16)13-24-4/h9-10,12,16-18,22,24-25,27H,6-8,11,13-15H2,1-5H3/t16-,17+,18-,22-/m1/s1
InChIKey	GOTBAIXNEHVFNA-WYADAEROSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,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]methanesulfonamide (CHEBI:117613) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,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]methanesulfonamide (CHEBI:117613) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29062	LINCS