(2s)-n-[(4-aminocyclohexyl)methyl]-1-[(2r)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide (CED0170720)

Record Information
Version1.0
Creation Date2026-08-21 23:05:10 UTC
Update Date2026-08-21 23:05:10 UTC
Accession NumberCHEM206279
Identification
Common Name(2s)-n-[(4-aminocyclohexyl)methyl]-1-[(2r)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
ClassSmall Molecule
Description
(2s)-n-[(4-aminocyclohexyl)methyl]-1-[(2r)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C22H34N4O2 and an average molecular weight of 386.50 g/mol. It is recorded as being found in or released from electrical and electronic equipment specifically related to radio transmission systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H34N4O2
Average Molecular Mass386.500 g/mol
Monoisotopic Mass386.268 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C22H34N4O2/c1-24-19(14-16-6-3-2-4-7-16)22(28)26-13-5-8-20(26)21(27)25-15-17-9-11-18(23)12-10-17/h2-4,6-7,17-20,24H,5,8-15,23H2,1H3,(H,25,27)/t17?,18?,19-,20+/m1/s1
InChI KeyMDSVGJAUFNXYRR-TUNPWDSISA-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
287.0Log mg/kg[160:510]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)119.343
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)104.396
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)92.407
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)5.2159
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)122.068
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)47.4102
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)144.955
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)9.49761
Click to view 3D structureUncharacterized proteinF1N083Bos taurusPredicted (SEA)19.1509
Click to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)21.7978
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)65.0819
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)171.346
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP09610Mesocricetus auratusPredicted (SEA)11.9109
Click to view 3D structureAngiotensin-converting enzymeP47820Rattus norvegicusPredicted (SEA)5.60514
Breast cancer type 1 susceptibility protein structureClick to view 3D structureBreast cancer type 1 susceptibility proteinP38398HumansPredicted (SEA)10.821
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)53.4824
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)64.6149
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)22.4984
Click to view 3D structureMu-opioid receptorQ8CGM4Cavia porcellusPredicted (SEA)21.2528
Click to view 3D structureCytosol aminopeptidaseP28838HumansPredicted (SEA)6.30579
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)146.434
Dipeptidyl peptidase 3 structureClick to view 3D structureDipeptidyl peptidase 3Q9NY33HumansPredicted (SEA)27.4808
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)95.2096
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)115.606
Click to view 3D structureXaa-Pro aminopeptidase 2Q99MA2Rattus norvegicusPredicted (SEA)5.2159
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available