N-[(3R,9R,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]benzenesulfonamide (CHEBI:106802)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:106802 - N-[(3R,9R,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]benzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:106802
ChEBI Name	N-[(3R,9R,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]benzenesulfonamide
Stars
Downloads	Molfile

Formula	C28H41N3O6S
Net Charge	0
Average Mass	547.718
Monoisotopic Mass	547.27161
SMILES	CNC[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C28H41N3O6S/c1-20-18-31(21(2)19-32)28(33)25-16-23(30-38(34,35)24-11-6-5-7-12-24)13-14-26(25)37-22(3)10-8-9-15-36-27(20)17-29-4/h5-7,11-14,16,20-22,27,29-30,32H,8-10,15,17-19H2,1-4H3/t20-,21+,22-,27+/m1/s1
InChIKey	JLURSCHFCUHCJF-RYBWSMFQSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9R,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]benzenesulfonamide (CHEBI:106802) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9R,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]benzenesulfonamide (CHEBI:106802) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18157	LINCS