(2s)-2-(3-acetamidopropanoylamino)-3-(1h-imidazol-5-yl)propanoic acid (CED0182703)

Record Information
Version1.0
Creation Date2026-08-18 11:41:51 UTC
Update Date2026-08-18 11:41:51 UTC
Accession NumberCHEM158688
Identification
Common Name(2s)-2-(3-acetamidopropanoylamino)-3-(1h-imidazol-5-yl)propanoic acid
ClassSmall Molecule
Description
(2s)-2-(3-acetamidopropanoylamino)-3-(1h-imidazol-5-yl)propanoic acid belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. This organic acid and derivative possesses the chemical formula C11H16N4O4 and an average molecular weight of 268.27 g/mol. The compound is identified in or released from 11 recorded sources across several categories. Within electrical and electronic equipment, it is associated with antennas, amplifiers, communication cables or conductors, emergency protective devices, and electric hearing aids, among two other sources. In the building and construction sector, it is found in tents or canopies and fencing. Additionally, it is present in household cleaning and consumer products, specifically pipe accessories and other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC11H16N4O4
Average Molecular Mass268.270 g/mol
Monoisotopic Mass268.117 g/mol
CAS Registry Number56353-15-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1
InChI KeyBKAYIFDRRZZKNF-VIFPVBQESA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3745.0Log mg/kg[2100:6700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
496FencingBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
601Lawn MowersAgriculture & land managementNot Available
649Pins ClothesTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Caspase-8 structureClick to view 3D structureCaspase-8Q14790HumansPredicted (SEA)736.531
Leucyl-cystinyl aminopeptidase structureClick to view 3D structureLeucyl-cystinyl aminopeptidaseQ9UIQ6HumansPredicted (SEA)645.681
BTB/POZ domain-containing protein KCTD12 structureClick to view 3D structureBTB/POZ domain-containing protein KCTD12Q96CX2HumansPredicted (SEA)207.857
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)243.979
Histidine--tRNA ligase, cytoplasmic structureClick to view 3D structureHistidine--tRNA ligase, cytoplasmicP12081HumansPredicted (SEA)38.6132
Click to view 3D structureCadherin-2P19022HumansPredicted (SEA)37.9126
Frizzled-7 structureClick to view 3D structureFrizzled-7O75084HumansPredicted (SEA)156.633
Caspase-9 structureClick to view 3D structureCaspase-9P55211HumansPredicted (SEA)304.079
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)321.751
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)376.09
Click to view 3D structureProstaglandin F2-alpha receptorQ28905Ovis ariesPredicted (SEA)178.43
Rhombotin-2 structureClick to view 3D structureRhombotin-2P25791HumansPredicted (SEA)180.922
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)1073.07
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)440.004
Click to view 3D structureHistamine H3 receptorQ9JI35Cavia porcellusPredicted (SEA)669.97
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)2985.67
Click to view 3D structureMelanocortin receptor 3P33033Mus musculusPredicted (SEA)373.988
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)5320.84
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)2460.74
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)5553.92
Melanocortin receptor 3 structureClick to view 3D structureMelanocortin receptor 3P41968HumansPredicted (SEA)723.764
Melanocortin receptor 5 structureClick to view 3D structureMelanocortin receptor 5P33032HumansPredicted (SEA)765.024
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)5806.93
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)832.987
Histidinol dehydrogenase structureClick to view 3D structureHistidinol dehydrogenaseP06988Escherichia coli (strain K12)Predicted (SEA)47.2545
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available