EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:109264 - LSM-20661

ChEBI IDCHEBI:109264
ChEBI NameLSM-20661
Stars
DownloadsMolfile
FormulaC36H33F4N3O5
Net Charge0
Average Mass663.668
Monoisotopic Mass663.23563
SMILESCOC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1
InChIInChI=1S/C36H33F4N3O5/c1-41(2)33(45)30-18-28-29(42(30)20-23-11-15-27(16-12-23)48-36(38,39)40)17-25-21-43(32(44)24-7-5-4-6-8-24)35(31(25)28,34(46)47-3)19-22-9-13-26(37)14-10-22/h4-16,18,25,31H,17,19-21H2,1-3H3/t25-,31+,35+/m0/s1
InChIKeyWQNVBEYGWAEVOI-ARROIKNCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-20661 (CHEBI:109264) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-20661LINCS