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CHEBI:101339 - LSM-12704

ChEBI IDCHEBI:101339
ChEBI NameLSM-12704
Stars
DownloadsMolfile
FormulaC32H36FN3O5S
Net Charge0
Average Mass593.721
Monoisotopic Mass593.23597
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccc(F)c2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m0/s1
InChIKeyQBEIQJOXWRLXRW-DKGMKSHISA-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-12704 (CHEBI:101339) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-12704LINCS