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CHEBI:101360 - LSM-12724

ChEBI IDCHEBI:101360
ChEBI NameLSM-12724
Stars
DownloadsMolfile
FormulaC33H36N4O5S
Net Charge0
Average Mass600.741
Monoisotopic Mass600.24064
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2C#N)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23+,29-/m0/s1
InChIKeyVOTKEIORIBNPMA-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-12724 (CHEBI:101360) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-12724LINCS