3-cyclohexyl-1-[[(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:130556)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130556 - 3-cyclohexyl-1-[[(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Take structure to advanced search

ChEBI ID	CHEBI:130556
ChEBI Name	3-cyclohexyl-1-[[(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
Stars
Downloads	Molfile

Formula	C25H40N4O4
Net Charge	0
Average Mass	460.619
Monoisotopic Mass	460.30496
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(N(C)C)cc2C1=O
InChI	InChI=1S/C25H40N4O4/c1-17-14-29(18(2)16-30)24(31)21-13-20(27(3)4)11-12-22(21)33-23(17)15-28(5)25(32)26-19-9-7-6-8-10-19/h11-13,17-19,23,30H,6-10,14-16H2,1-5H3,(H,26,32)/t17-,18+,23+/m0/s1
InChIKey	AMJJCKBOWHOXQT-YZZKKUAISA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	3-cyclohexyl-1-[[(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:130556) is a dialkylarylamine (CHEBI:23665)
	3-cyclohexyl-1-[[(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:130556) is a tertiary amino compound (CHEBI:50996)

Manual Xrefs	Databases
LSM-42105	LINCS