EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102598 - LSM-13945

ChEBI IDCHEBI:102598
ChEBI NameLSM-13945
Stars
DownloadsMolfile
FormulaC23H26ClN3O4
Net Charge0
Average Mass443.931
Monoisotopic Mass443.16118
SMILESO=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2Cc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C23H26ClN3O4/c24-16-4-1-3-15(11-16)12-27-19-13-26-18(5-2-6-20(26)29)22(27)21(17(19)14-28)23(30)25-7-9-31-10-8-25/h1-6,11,17,19,21-22,28H,7-10,12-14H2/t17-,19-,21+,22+/m0/s1
InChIKeyJHNJYMNWNCZPKL-HVJHZFLKSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-13945 (CHEBI:102598) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual XrefsDatabases
LSM-13945LINCS