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CHEBI:98498 - LSM-9877

ChEBI IDCHEBI:98498
ChEBI NameLSM-9877
Stars
DownloadsMolfile
FormulaC30H37N5O5S
Net Charge0
Average Mass579.723
Monoisotopic Mass579.25154
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C30H37N5O5S/c1-20-14-35(21(2)17-36)30(37)29-28(24-12-8-9-13-25(24)34(29)5)23-11-7-6-10-22(23)18-40-26(20)15-33(4)41(38,39)27-16-32(3)19-31-27/h6-13,16,19-21,26,36H,14-15,17-18H2,1-5H3/t20-,21+,26-/m1/s1
InChIKeyNRKUZRFIJSCRHL-YZIHRLCOSA-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-9877 (CHEBI:98498) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9877LINCS