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CHEBI:106284 - LSM-17645

ChEBI IDCHEBI:106284
ChEBI NameLSM-17645
Stars
DownloadsMolfile
FormulaC26H34N2O6S
Net Charge0
Average Mass502.633
Monoisotopic Mass502.21376
SMILESCC=Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(C(=O)O)cc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChIInChI=1S/C26H34N2O6S/c1-5-6-20-9-12-25-23(13-20)34-24(18(2)14-28(19(3)17-29)35(25,32)33)16-27(4)15-21-7-10-22(11-8-21)26(30)31/h5-13,18-19,24,29H,14-17H2,1-4H3,(H,30,31)/t18-,19-,24+/m1/s1
InChIKeyHCERARMSZYIAOP-IECBHUPTSA-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-17645 (CHEBI:106284) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-17645LINCS