1-[[(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:128992)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128992 - 1-[[(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

Take structure to advanced search

ChEBI ID	CHEBI:128992
ChEBI Name	1-[[(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
Stars
Downloads	Molfile

Formula	C26H36N4O5
Net Charge	0
Average Mass	484.597
Monoisotopic Mass	484.26857
SMILES	COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(N(C)C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C26H36N4O5/c1-17-14-30(18(2)16-31)25(32)22-13-20(28(3)4)9-12-23(22)35-24(17)15-29(5)26(33)27-19-7-10-21(34-6)11-8-19/h7-13,17-18,24,31H,14-16H2,1-6H3,(H,27,33)/t17-,18-,24+/m0/s1
InChIKey	WPUIFJYVSOAUNQ-LLJLJFOGSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[[(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:128992) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-40544	LINCS