1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (CHEBI:112546)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112546 - 1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea

Take structure to advanced search

ChEBI ID	CHEBI:112546
ChEBI Name	1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
Stars
Downloads	Molfile

Formula	C24H33F3N6O4
Net Charge	0
Average Mass	526.560
Monoisotopic Mass	526.25154
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)OCc2cnnn2CCCC1=O
InChI	InChI=1S/C24H33F3N6O4/c1-16-12-32(17(2)14-34)22(35)8-5-9-33-20(11-28-30-33)15-37-21(16)13-31(3)23(36)29-19-7-4-6-18(10-19)24(25,26)27/h4,6-7,10-11,16-17,21,34H,5,8-9,12-15H2,1-3H3,(H,29,36)/t16-,17+,21-/m0/s1
InChIKey	IQZUEXURVFCKFC-FVJLSDCUSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (CHEBI:112546) is a azamacrocycle (CHEBI:52898)
	1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (CHEBI:112546) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-23956	LINCS