EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124402 - 1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

ChEBI IDCHEBI:124402
ChEBI Name1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
Stars
DownloadsMolfile
FormulaC29H35Cl2N5O5
Net Charge0
Average Mass604.535
Monoisotopic Mass603.20152
SMILESCc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CN([C@H](C)CO)C2=O
InChIInChI=1S/C29H35Cl2N5O5/c1-16-12-36(17(2)15-37)28(38)21-7-6-8-24(32-29(39)33-26-18(3)34-41-19(26)4)27(21)40-25(16)14-35(5)13-20-9-10-22(30)23(31)11-20/h6-11,16-17,25,37H,12-15H2,1-5H3,(H2,32,33,39)/t16-,17+,25-/m0/s1
InChIKeyXZKSGWSUUNDQRD-QLODZENZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:124402) is a dichlorobenzene (CHEBI:23697)
Manual XrefsDatabases
LSM-35844LINCS