CHEBI:77752 - LTX-109

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LTX-109
ChEBI ID CHEBI:77752
Definition A tripeptide that is the 2-phenylethyl amide of L-arginyl-2,5,7-tri-tert-butyl-L-tryptophyl-L-arginine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C43H69N11O3
Net Charge 0
Average Mass 788.07990
Monoisotopic Mass 787.55849
InChI InChI=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
InChIKey ZVOYWSKEBVVLGW-ZDCRTTOTSA-N
SMILES CC(C)(C)c1[nH]c2c(cc(cc2c1C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCc1ccccc1)C(C)(C)C)C(C)(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
US2011236453 Patent
View more database links
Registry Numbers Types Sources
1166254-80-3 CAS Registry Number ChemIDplus
21795620 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21732630 PubMed citation Europe PMC
22585222 PubMed citation Europe PMC
Last Modified
18 March 2014