EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111123 - 1-cyclohexyl-3-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea

ChEBI IDCHEBI:111123
ChEBI Name1-cyclohexyl-3-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
Stars
DownloadsMolfile
FormulaC30H50N4O5
Net Charge0
Average Mass546.753
Monoisotopic Mass546.37812
SMILESC[C@@H]1CCCCO[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O1
InChIInChI=1S/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22+,23-,28+/m1/s1
InChIKeyVUABGABXFJSUSX-KRHPZPPWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:111123) is a azamacrocycle (CHEBI:52898)
1-cyclohexyl-3-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:111123) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-22566LINCS