EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98558 - 2-(dimethylamino)-N-[(4R,7R,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide

ChEBI IDCHEBI:98558
ChEBI Name2-(dimethylamino)-N-[(4R,7R,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
Stars
DownloadsMolfile
FormulaC28H39FN4O4
Net Charge0
Average Mass514.642
Monoisotopic Mass514.29553
SMILESCO[C@@H]1CN(C)C(=O)c2cc(NC(=O)CN(C)C)ccc2OC[C@@H](C)N(Cc2ccccc2F)C[C@H]1C
InChIInChI=1S/C28H39FN4O4/c1-19-14-33(15-21-9-7-8-10-24(21)29)20(2)18-37-25-12-11-22(30-27(34)17-31(3)4)13-23(25)28(35)32(5)16-26(19)36-6/h7-13,19-20,26H,14-18H2,1-6H3,(H,30,34)/t19-,20-,26-/m1/s1
InChIKeyFGNLLZJYKQVDAW-XMERXJNXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(dimethylamino)-N-[(4R,7R,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:98558) is a azamacrocycle (CHEBI:52898)
2-(dimethylamino)-N-[(4R,7R,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:98558) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-9937LINCS