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CHEBI:94532 - LSM-5352

ChEBI IDCHEBI:94532
ChEBI NameLSM-5352
Stars
DownloadsMolfile
FormulaC35H48FN5O8S
Net Charge0
Average Mass717.861
Monoisotopic Mass717.32076
SMILESCC(C)(C)OC(=O)N[C@H]1CCCCCC=C[C@@H]2C[C@@]2(CNS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O
InChIInChI=1S/C35H48FN5O8S/c1-34(2,3)49-32(44)38-28-13-8-6-4-5-7-11-23-17-35(23,21-37-50(46,47)25-14-15-25)39-30(42)29-16-24(19-41(29)31(28)43)48-33(45)40-18-22-10-9-12-27(36)26(22)20-40/h7,9-12,23-25,28-29,37H,4-6,8,13-21H2,1-3H3,(H,38,44)(H,39,42)/t23-,24-,28+,29+,35+/m1/s1
InChIKeyNLLUOMDMSMVXKN-QJKUGCEWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LSM-5352 (CHEBI:94532) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
LSM-5352LINCS