1-[(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]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:106985)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:106985 - 1-[(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]-3-[4-(trifluoromethyl)phenyl]urea

Take structure to advanced search

ChEBI ID	CHEBI:106985
ChEBI Name	1-[(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]-3-[4-(trifluoromethyl)phenyl]urea
Stars
Downloads	Molfile

Formula	C30H41F3N4O5
Net Charge	0
Average Mass	594.675
Monoisotopic Mass	594.30291
SMILES	CNC[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C30H41F3N4O5/c1-19-17-37(20(2)18-38)28(39)25-15-24(36-29(40)35-23-10-8-22(9-11-23)30(31,32)33)12-13-26(25)42-21(3)7-5-6-14-41-27(19)16-34-4/h8-13,15,19-21,27,34,38H,5-7,14,16-18H2,1-4H3,(H2,35,36,40)/t19-,20+,21-,27+/m1/s1
InChIKey	JTLOVMZMVDHICP-RBZJZWSTSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(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]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:106985) is a azamacrocycle (CHEBI:52898)
	1-[(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]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:106985) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18339	LINCS