EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:95690 - 3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

ChEBI IDCHEBI:95690
ChEBI Name3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
Stars
DownloadsMolfile
FormulaC25H38N6O6
Net Charge0
Average Mass518.615
Monoisotopic Mass518.28528
SMILESCOc1ccc(NC(=O)N(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c(OC)c1
InChIInChI=1S/C25H38N6O6/c1-17-12-31(18(2)15-32)24(33)7-6-10-30-13-19(27-28-30)16-37-23(17)14-29(3)25(34)26-21-9-8-20(35-4)11-22(21)36-5/h8-9,11,13,17-18,23,32H,6-7,10,12,14-16H2,1-5H3,(H,26,34)/t17-,18+,23-/m1/s1
InChIKeyDZDKJIRUSJXCKT-IEGUWTFLSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea (CHEBI:95690) is a azamacrocycle (CHEBI:52898)
3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea (CHEBI:95690) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7069LINCS