EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97020 - N-[[(8S,9R)-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]-N-methylcarbamic acid ethyl ester

ChEBI IDCHEBI:97020
ChEBI NameN-[[(8S,9R)-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]-N-methylcarbamic acid ethyl ester
Stars
DownloadsMolfile
FormulaC19H33N5O5
Net Charge0
Average Mass411.503
Monoisotopic Mass411.24817
SMILESCCOC(=O)N(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C19H33N5O5/c1-5-28-19(27)22(4)11-17-14(2)9-24(15(3)12-25)18(26)7-6-8-23-10-16(13-29-17)20-21-23/h10,14-15,17,25H,5-9,11-13H2,1-4H3/t14-,15+,17-/m0/s1
InChIKeyOBJUKURLMFMQOH-UXLLHSPISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8S,9R)-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]-N-methylcarbamic acid ethyl ester (CHEBI:97020) is a azamacrocycle (CHEBI:52898)
N-[[(8S,9R)-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]-N-methylcarbamic acid ethyl ester (CHEBI:97020) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8399LINCS