EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112595 - N-[[(8R,9S)-6-[(2S)-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-methyl-4-pyridinecarboxamide

ChEBI IDCHEBI:112595
ChEBI NameN-[[(8R,9S)-6-[(2S)-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-methyl-4-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC22H32N6O4
Net Charge0
Average Mass444.536
Monoisotopic Mass444.24850
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)c1ccncc1
InChIInChI=1S/C22H32N6O4/c1-16-12-27(17(2)14-29)21(30)5-4-10-28-19(11-24-25-28)15-32-20(16)13-26(3)22(31)18-6-8-23-9-7-18/h6-9,11,16-17,20,29H,4-5,10,12-15H2,1-3H3/t16-,17+,20-/m1/s1
InChIKeyIGJDKOMBBXSAPT-FUHIMQAGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8R,9S)-6-[(2S)-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-methyl-4-pyridinecarboxamide (CHEBI:112595) is a azamacrocycle (CHEBI:52898)
N-[[(8R,9S)-6-[(2S)-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-methyl-4-pyridinecarboxamide (CHEBI:112595) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-24005LINCS