N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:131237)

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CHEBI:131237 - N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide

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ChEBI ID	CHEBI:131237
ChEBI Name	N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide
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Downloads	Molfile

Formula	C28H43N3O6S2
Net Charge	0
Average Mass	581.801
Monoisotopic Mass	581.25933
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1cccs1
InChI	InChI=1S/C28H43N3O6S2/c1-20-17-31(21(2)19-32)28(33)24-16-23(29(4)5)12-13-25(24)37-22(3)10-7-8-14-36-26(20)18-30(6)39(34,35)27-11-9-15-38-27/h9,11-13,15-16,20-22,26,32H,7-8,10,14,17-19H2,1-6H3/t20-,21-,22+,26+/m1/s1
InChIKey	ANVCKVJMNHXGBG-CQAGSAPUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:131237) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10R)-16-(dimethylamino)-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-9-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:131237) is a lactam (CHEBI:24995)

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LSM-15949	LINCS