EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97001 - 1-[[(8S,9R)-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]-3-(2-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:97001
ChEBI Name1-[[(8S,9R)-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]-3-(2-methoxyphenyl)-1-methylurea
Stars
DownloadsMolfile
FormulaC24H36N6O5
Net Charge0
Average Mass488.589
Monoisotopic Mass488.27472
SMILESCOc1ccccc1NC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C24H36N6O5/c1-17-12-30(18(2)15-31)23(32)10-7-11-29-13-19(26-27-29)16-35-22(17)14-28(3)24(33)25-20-8-5-6-9-21(20)34-4/h5-6,8-9,13,17-18,22,31H,7,10-12,14-16H2,1-4H3,(H,25,33)/t17-,18-,22-/m0/s1
InChIKeyZODITPIVHHGZAH-SPEDKVCISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9R)-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]-3-(2-methoxyphenyl)-1-methylurea (CHEBI:97001) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9R)-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]-3-(2-methoxyphenyl)-1-methylurea (CHEBI:97001) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8380LINCS