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CHEBI:99734 - LSM-11113

ChEBI IDCHEBI:99734
ChEBI NameLSM-11113
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)c2ccccc2F)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m0/s1
InChIKeyPCQGWFREXHAZIT-PFPZSTESSA-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-11113 (CHEBI:99734) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-11113LINCS