EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96834 - N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester

ChEBI IDCHEBI:96834
ChEBI NameN-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester
Stars
DownloadsMolfile
FormulaC23H33N5O5
Net Charge0
Average Mass459.547
Monoisotopic Mass459.24817
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C23H33N5O5/c1-17-13-27(18(2)15-29)22(30)10-7-11-28-19(12-24-25-28)16-32-21(17)14-26(3)23(31)33-20-8-5-4-6-9-20/h4-6,8-9,12,17-18,21,29H,7,10-11,13-16H2,1-3H3/t17-,18-,21-/m1/s1
InChIKeyVVYGNONDBDDRFX-DBXWQHBBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester (CHEBI:96834) is a azamacrocycle (CHEBI:52898)
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methylcarbamic acid phenyl ester (CHEBI:96834) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8213LINCS