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CHEBI:102180 - LSM-13538

ChEBI IDCHEBI:102180
ChEBI NameLSM-13538
Stars
DownloadsMolfile
FormulaC33H39N3O6S
Net Charge0
Average Mass605.757
Monoisotopic Mass605.25596
SMILESCOc1ccccc1S(=O)(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23+,29-/m0/s1
InChIKeyVHDWJFVGOVHSLC-CTWZREHQSA-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-13538 (CHEBI:102180) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-13538LINCS