EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124153 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:124153
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC28H36N4O6
Net Charge0
Average Mass524.618
Monoisotopic Mass524.26348
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)C4CC4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C28H36N4O6/c1-17-14-32(18(2)16-33)27(35)23-13-21(29-26(34)19-5-6-19)9-12-24(23)38-25(17)15-31(3)28(36)30-20-7-10-22(37-4)11-8-20/h7-13,17-19,25,33H,5-6,14-16H2,1-4H3,(H,29,34)(H,30,36)/t17-,18-,25-/m0/s1
InChIKeyKFKIQILHOYPHKH-RPPIVITFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:124153) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-35595LINCS