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]-2-thiophenesulfonamide (CHEBI:129441)

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CHEBI:129441 - 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]-2-thiophenesulfonamide

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ChEBI ID	CHEBI:129441
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]-2-thiophenesulfonamide
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Downloads	Molfile

Formula	C26H39N3O6S2
Net Charge	0
Average Mass	553.747
Monoisotopic Mass	553.22803
SMILES	CNC[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C26H39N3O6S2/c1-18-16-29(19(2)17-30)26(31)22-14-21(28-37(32,33)25-9-7-13-36-25)10-11-23(22)35-20(3)8-5-6-12-34-24(18)15-27-4/h7,9-11,13-14,18-20,24,27-28,30H,5-6,8,12,15-17H2,1-4H3/t18-,19+,20-,24-/m1/s1
InChIKey	HTMJKWITGYZJOG-ZBNTXBBCSA-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]-2-thiophenesulfonamide (CHEBI:129441) 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]-2-thiophenesulfonamide (CHEBI:129441) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-40992	LINCS