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CHEBI:100915 - LSM-12289

ChEBI IDCHEBI:100915
ChEBI NameLSM-12289
Stars
DownloadsMolfile
FormulaC31H38N4O6S
Net Charge0
Average Mass594.734
Monoisotopic Mass594.25121
SMILESCc1noc(C)c1S(=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/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27-/m1/s1
InChIKeyHAVPCKYPPPKWEI-IOKPGSKQSA-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-12289 (CHEBI:100915) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-12289LINCS