(2s)-2-[[(2s)-2-[[(2s)-2-(3-acetamidopropanoylamino)-3-(1h-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1h-imidazol-5-yl)propanoic acid (CED0162251)

Record Information
Version1.0
Creation Date2026-08-20 06:31:17 UTC
Update Date2026-08-20 06:31:17 UTC
Accession NumberCHEM202165
Identification
Common Name(2s)-2-[[(2s)-2-[[(2s)-2-(3-acetamidopropanoylamino)-3-(1h-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1h-imidazol-5-yl)propanoic acid
ClassSmall Molecule
Description
(2s)-2-[[(2s)-2-[[(2s)-2-(3-acetamidopropanoylamino)-3-(1h-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-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 has the formula C20H28N8O7 and an average molecular weight of 492.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H28N8O7
Average Molecular Mass492.500 g/mol
Monoisotopic Mass492.208 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C20H28N8O7/c1-11(30)23-3-2-17(31)26-14(4-12-6-21-9-24-12)18(32)28-16(8-29)19(33)27-15(20(34)35)5-13-7-22-10-25-13/h6-7,9-10,14-16,29H,2-5,8H2,1H3,(H,21,24)(H,22,25)(H,23,30)(H,26,31)(H,27,33)(H,28,32)(H,34,35)/t14-,15-,16-/m0/s1
InChI KeyROTFCACGLKOUGI-JYJNAYRXSA-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
5527.0Log mg/kg[3100:9800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)293.881
Frizzled-7 structureClick to view 3D structureFrizzled-7O75084HumansPredicted (SEA)149.081
Rhombotin-2 structureClick to view 3D structureRhombotin-2P25791HumansPredicted (SEA)169.478
Histidine--tRNA ligase, cytoplasmic structureClick to view 3D structureHistidine--tRNA ligase, cytoplasmicP12081HumansPredicted (SEA)47.3323
Click to view 3D structureCadherin-2P19022HumansPredicted (SEA)48.2665
Caspase-9 structureClick to view 3D structureCaspase-9P55211HumansPredicted (SEA)486.635
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)398.51
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)577.33
Click to view 3D structureProstaglandin F2-alpha receptorQ28905Ovis ariesPredicted (SEA)208.558
Syntenin-1 structureClick to view 3D structureSyntenin-1O00560HumansPredicted (SEA)206.145
BTB/POZ domain-containing protein KCTD12 structureClick to view 3D structureBTB/POZ domain-containing protein KCTD12Q96CX2HumansPredicted (SEA)192.91
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)2087.68
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)710.997
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)3617.19
Click to view 3D structureMelanocortin receptor 3P33033Mus musculusPredicted (SEA)520.5
Click to view 3D structureBTB/POZ domain-containing protein KCTD11Q693B1HumansPredicted (SEA)220.936
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)6735.44
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)6785.73
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)6851.67
Melanocortin receptor 5 structureClick to view 3D structureMelanocortin receptor 5P33032HumansPredicted (SEA)1508.33
Click to view 3D structureHistamine H3 receptorQ9JI35Cavia porcellusPredicted (SEA)1705.6
Melanocortin receptor 3 structureClick to view 3D structureMelanocortin receptor 3P41968HumansPredicted (SEA)1439.9
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)5630.91
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)1330.13
Caspase-8 structureClick to view 3D structureCaspase-8Q14790HumansPredicted (SEA)1276.34
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available