EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97023 - N-[[(8S,9S)-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]-N-methyl-4-pyridinecarboxamide

ChEBI IDCHEBI:97023
ChEBI NameN-[[(8S,9S)-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]-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)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)c1ccncc1
InChIInChI=1S/C22H32N6O4/c1-16-11-28(17(2)14-29)21(30)5-4-10-27-12-19(24-25-27)15-32-20(16)13-26(3)22(31)18-6-8-23-9-7-18/h6-9,12,16-17,20,29H,4-5,10-11,13-15H2,1-3H3/t16-,17-,20+/m0/s1
InChIKeyNSEOCVGIAYKUAZ-ABSDTBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8S,9S)-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]-N-methyl-4-pyridinecarboxamide (CHEBI:97023) is a azamacrocycle (CHEBI:52898)
N-[[(8S,9S)-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]-N-methyl-4-pyridinecarboxamide (CHEBI:97023) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8402LINCS