EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115909 - N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide

ChEBI IDCHEBI:115909
ChEBI NameN-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
Stars
DownloadsMolfile
FormulaC20H31N3O6S
Net Charge0
Average Mass441.550
Monoisotopic Mass441.19336
SMILESCO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(S(C)(=O)=O)C[C@@H]1C
InChIInChI=1S/C20H31N3O6S/c1-13-10-23(30(6,26)27)14(2)12-29-18-9-16(21-15(3)24)7-8-17(18)20(25)22(4)11-19(13)28-5/h7-9,13-14,19H,10-12H2,1-6H3,(H,21,24)/t13-,14+,19-/m0/s1
InChIKeyKEAMYVMGHPITQJ-KSMMKXTCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:115909) is a azamacrocycle (CHEBI:52898)
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide (CHEBI:115909) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-27366LINCS