EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115758 - 1-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

ChEBI IDCHEBI:115758
ChEBI Name1-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
Stars
DownloadsMolfile
FormulaC22H36N4O4
Net Charge0
Average Mass420.554
Monoisotopic Mass420.27366
SMILESCCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C2=O
InChIInChI=1S/C22H36N4O4/c1-7-10-23-22(28)24-17-8-9-18-19(11-17)30-14-16(3)25(4)12-15(2)20(29-6)13-26(5)21(18)27/h8-9,11,15-16,20H,7,10,12-14H2,1-6H3,(H2,23,24,28)/t15-,16-,20-/m1/s1
InChIKeyKXQBGTLFJGTYSJ-JXXFODFXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:115758) is a azamacrocycle (CHEBI:52898)
1-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:115758) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-27215LINCS