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CHEBI:119327 - LSM-30776

Default Structure
ChEBI IDCHEBI:119327
ChEBI NameLSM-30776
Stars
DownloadsMolfile
FormulaC32H36ClN3O5S
Net Charge0
Average Mass610.176
Monoisotopic Mass609.20642
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H36ClN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-11-7-8-12-28(27)35(31)4)26-10-6-5-9-23(26)20-41-29(21)18-34(3)42(39,40)25-15-13-24(33)14-16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22-,29-/m0/s1
InChIKeyVJARKWPJXPJMID-SYZUXVNWSA-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-30776 (CHEBI:119327) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30776LINCS