EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124847 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:124847
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC31H37N5O6
Net Charge0
Average Mass575.666
Monoisotopic Mass575.27438
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)c4ccncc4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C31H37N5O6/c1-20-17-36(21(2)19-37)29(38)16-23-15-25(33-30(39)22-11-13-32-14-12-22)7-10-27(23)42-28(20)18-35(3)31(40)34-24-5-8-26(41-4)9-6-24/h5-15,20-21,28,37H,16-19H2,1-4H3,(H,33,39)(H,34,40)/t20-,21-,28-/m0/s1
InChIKeyDCRGCXQGWLPIKW-CZBREUMFSA-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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide (CHEBI:124847) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-36289LINCS