3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:96549)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96549 - 3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

Take structure to advanced search

ChEBI ID	CHEBI:96549
ChEBI Name	3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
Stars
Downloads	Molfile

Formula	C30H31F3N4O6
Net Charge	0
Average Mass	600.594
Monoisotopic Mass	600.21957
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2ncc(-c3cccc(C(F)(F)F)c3)cc2C1=O
InChI	InChI=1S/C30H31F3N4O6/c1-17-13-37(18(2)15-38)28(39)23-10-20(19-5-4-6-21(9-19)30(31,32)33)12-34-27(23)43-26(17)14-36(3)29(40)35-22-7-8-24-25(11-22)42-16-41-24/h4-12,17-18,26,38H,13-16H2,1-3H3,(H,35,40)/t17-,18+,26-/m0/s1
InChIKey	CDAZLJBZDLYAFI-DFXHWTJYSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,3-benzodioxol-5-yl)-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:96549) is a phenylpyridine (CHEBI:38193)

Manual Xrefs	Databases
LSM-7928	LINCS