N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:125771)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:125771 - N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:125771
ChEBI Name	N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
Stars
Downloads	Molfile

Formula	C36H49N3O7S
Net Charge	0
Average Mass	667.869
Monoisotopic Mass	667.32912
SMILES	COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C36H49N3O7S/c1-26-22-39(27(2)25-40)36(41)33-21-30(37-47(42,43)32-12-7-6-8-13-32)16-19-34(33)46-28(3)11-9-10-20-45-35(26)24-38(4)23-29-14-17-31(44-5)18-15-29/h6-8,12-19,21,26-28,35,37,40H,9-11,20,22-25H2,1-5H3/t26-,27-,28-,35-/m1/s1
InChIKey	FWFWXVPGFYLMOP-FCSDHKMCSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:125771) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:125771) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-37340	LINCS