N-[(3S,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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]-2-thiophenesulfonamide (CHEBI:130372)

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CHEBI:130372 - N-[(3S,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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]-2-thiophenesulfonamide

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ChEBI ID	CHEBI:130372
ChEBI Name	N-[(3S,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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]-2-thiophenesulfonamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H43Cl2N3O6S2
Net Charge	0
Average Mass	712.762
Monoisotopic Mass	711.19703
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C33H43Cl2N3O6S2/c1-22-18-38(23(2)21-39)33(40)27-17-26(36-46(41,42)32-9-7-15-45-32)11-13-30(27)44-24(3)8-5-6-14-43-31(22)20-37(4)19-25-10-12-28(34)29(35)16-25/h7,9-13,15-17,22-24,31,36,39H,5-6,8,14,18-21H2,1-4H3/t22-,23-,24+,31+/m1/s1
InChIKey	VIOGDUQZNOFWDO-JYWVQFHMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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]-2-thiophenesulfonamide (CHEBI:130372) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]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]-2-thiophenesulfonamide (CHEBI:130372) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41921	LINCS