EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126141 - 1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

ChEBI IDCHEBI:126141
ChEBI Name1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
Stars
DownloadsMolfile
FormulaC32H46N4O5
Net Charge0
Average Mass566.743
Monoisotopic Mass566.34682
SMILESCOc1ccc(CN(C)C[C@@H]2Oc3ccc(NC(=O)NC4CCCCC4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C32H46N4O5/c1-22-18-36(23(2)21-37)31(38)17-25-16-27(34-32(39)33-26-8-6-5-7-9-26)12-15-29(25)41-30(22)20-35(3)19-24-10-13-28(40-4)14-11-24/h10-16,22-23,26,30,37H,5-9,17-21H2,1-4H3,(H2,33,34,39)/t22-,23-,30-/m0/s1
InChIKeyVLYSFBPSHIXFSY-ZRLASMASSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:126141) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-37708LINCS