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CHEBI:77752 - LTX-109

ChEBI IDCHEBI:77752
ChEBI NameLTX-109
Stars
DefinitionA tripeptide that is the 2-phenylethyl amide of L-arginyl-2,5,7-tri-tert-butyl-L-tryptophyl-L-arginine
Last Modified18 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC43H69N11O3
Net Charge0
Average Mass788.099
Monoisotopic Mass787.55849
SMILESCC(C)(C)c1cc(C(C)(C)C)c2nc(C(C)(C)C)c(C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc3ccccc3)c2c1
InChIInChI=1S/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,56)(H,52,57)(H,53,55)(H4,45,46,50)(H4,47,48,51)/t31-,32-,33-/m0/s1
InChIKeyZVOYWSKEBVVLGW-ZDCRTTOTSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
peptidomimetic  A small protein-like chain designed to mimic a peptide.
ChEBI Ontology
Outgoing Relation(s)
LTX-109 (CHEBI:77752) has role antimicrobial agent (CHEBI:33281)
LTX-109 (CHEBI:77752) has role peptidomimetic (CHEBI:63175)
LTX-109 (CHEBI:77752) is a monocarboxylic acid amide (CHEBI:29347)
LTX-109 (CHEBI:77752) is a tripeptide (CHEBI:47923)
IUPAC Name 
L-arginyl-2,5,7-tri-tert-butyl-L-tryptophyl-N-(2-phenylethyl)-L-argininamide
Manual XrefsDatabases
US2011236453Patent
Registry NumbersSources
Reaxys:21795620Reaxys
CAS:1166254-80-3ChemIDplus
Citations