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CHEBI:98601 - LSM-9980

ChEBI IDCHEBI:98601
ChEBI NameLSM-9980
Stars
DownloadsMolfile
FormulaC35H42N4O4
Net Charge0
Average Mass582.745
Monoisotopic Mass582.32061
SMILESC[C@H](NC(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)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+/m0/s1
InChIKeyWVFRUYXRTWIHMU-QNBZCSHPSA-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-9980 (CHEBI:98601) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9980LINCS