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CHEBI:98412 - LSM-9791

ChEBI IDCHEBI:98412
ChEBI NameLSM-9791
Stars
DownloadsMolfile
FormulaC35H42N4O4
Net Charge0
Average Mass582.745
Monoisotopic Mass582.32061
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24+,25-,31+/m1/s1
InChIKeyWVFRUYXRTWIHMU-FXIKWKPTSA-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-9791 (CHEBI:98412) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9791LINCS