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CHEBI:100648 - LSM-12022

ChEBI IDCHEBI:100648
ChEBI NameLSM-12022
Stars
DownloadsMolfile
FormulaC34H39N3O4
Net Charge0
Average Mass553.703
Monoisotopic Mass553.29406
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24-,30-/m0/s1
InChIKeyBENJSVFNXVDSQO-JYUFKMNQSA-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-12022 (CHEBI:100648) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-12022LINCS