EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112655 - 3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8S,9S)-6-[(2R)-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:112655
ChEBI Name3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8S,9S)-6-[(2R)-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
FormulaC22H35N7O5
Net Charge0
Average Mass477.566
Monoisotopic Mass477.26997
SMILESCc1noc(C)c1NC(=O)N(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C22H35N7O5/c1-14-9-29(15(2)12-30)20(31)7-6-8-28-10-18(24-26-28)13-33-19(14)11-27(5)22(32)23-21-16(3)25-34-17(21)4/h10,14-15,19,30H,6-9,11-13H2,1-5H3,(H,23,32)/t14-,15+,19+/m0/s1
InChIKeyZMFVFBQYBHAIKE-QMTMVMCOSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8S,9S)-6-[(2R)-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:112655) is a azamacrocycle (CHEBI:52898)
3-(3,5-dimethyl-4-isoxazolyl)-1-[[(8S,9S)-6-[(2R)-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:112655) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-24065LINCS