(2s)-1-[2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid (CED0120147)

Record Information
Version1.0
Creation Date2026-08-22 12:04:39 UTC
Update Date2026-08-22 12:04:39 UTC
Accession NumberCHEM214620
Identification
Common Name(2s)-1-[2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
ClassSmall Molecule
Description
(2s)-1-[2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 813.90 g/mol, (2s)-1-[2-[[(2s)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid is a heavy molecule. This compound has the chemical formula C37H51N9O10S. It has been found in or released from two recorded sources, specifically electrical and electronic equipment such as electric hearing aids and antennas.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC37H51N9O10S
Average Molecular Mass813.900 g/mol
Monoisotopic Mass813.348 g/mol
CAS Registry Number80714-61-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C37H51N9O10S/c1-57-16-13-24(38)32(50)42-25(11-12-31(48)49)33(51)43-26(18-23-19-39-21-41-23)34(52)44-27(17-22-7-3-2-4-8-22)36(54)46-15-5-9-28(46)35(53)40-20-30(47)45-14-6-10-29(45)37(55)56/h2-4,7-8,19,21,24-29H,5-6,9-18,20,38H2,1H3,(H,39,41)(H,40,53)(H,42,50)(H,43,51)(H,44,52)(H,48,49)(H,55,56)/t24-,25-,26-,27-,28-,29-/m0/s1
InChI KeyAFEHBIGDWIGTEH-AQRCPPRCSA-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
6333.0Log mg/kg[3600:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Apical membrane antigen 1 structureClick to view 3D structureApical membrane antigen 1Q7KQK5Plasmodium falciparum (isolate 3D7)Predicted (SEA)75.1245
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)34.098
IgG receptor FcRn large subunit p51 structureClick to view 3D structureIgG receptor FcRn large subunit p51P55899HumansPredicted (SEA)76.5258
Click to view 3D structureAngiotensin-converting enzymeP47820Rattus norvegicusPredicted (SEA)33.553
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP09610Mesocricetus auratusPredicted (SEA)50.2906
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)93.8083
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)122.69
Alpha-cobratoxin structureClick to view 3D structureAlpha-cobratoxinP01391Naja kaouthiaPredicted (SEA)99.1799
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)159.435
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)339.968
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)297.773
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)303.612
Gag-Pro polyprotein structureClick to view 3D structureGag-Pro polyproteinP10274Human T-cell leukemia virus 1 (strain Japan ATK-1 subtype A) (HTLV-1)Predicted (SEA)23.5883
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)587.762
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)321.284
BTB/POZ domain-containing protein KCTD12 structureClick to view 3D structureBTB/POZ domain-containing protein KCTD12Q96CX2HumansPredicted (SEA)90.1494
Click to view 3D structureDickkopf WNT-signaling pathway inhibitor 1A6I0Z0Rattus norvegicusPredicted (SEA)104.24
Click to view 3D structureUncharacterized proteinF1N083Bos taurusPredicted (SEA)103.539
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)514.116
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)401.391
Click to view 3D structureSubstance-K receptorP16610Rattus norvegicusPredicted (SEA)179.053
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)157.022
Click to view 3D structureNeuromedin-K receptorP16177Rattus norvegicusPredicted (SEA)165.352
Chaperone SurA structureClick to view 3D structureChaperone SurAP0ABZ6Escherichia coli (strain K12)Predicted (SEA)132.344
Frizzled-7 structureClick to view 3D structureFrizzled-7O75084HumansPredicted (SEA)99.8806
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available