(2s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid (CED0120144)

Record Information
Version1.0
Creation Date2026-08-22 11:47:13 UTC
Update Date2026-08-22 11:47:13 UTC
Accession NumberCHEM214364
Identification
Common Name(2s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid
ClassSmall Molecule
Description
(2s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic 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 848.80 g/mol, (2s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[2-[[(2s)-2-[[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid is a heavy molecule. It has the chemical formula C35H48N10O15. This compound is found in or released from two recorded sources, specifically electric switches and radio transmission systems within electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC35H48N10O15
Average Molecular Mass848.800 g/mol
Monoisotopic Mass848.330 g/mol
CAS Registry Number62568-57-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C35H48N10O15/c1-16(41-32(56)20(36)9-18-11-37-21-6-4-3-5-19(18)21)30(54)39-12-25(47)38-13-26(48)44-23(10-29(52)53)34(58)42-17(2)31(55)45-24(15-46)33(57)40-14-27(49)43-22(35(59)60)7-8-28(50)51/h3-6,11,16-17,20,22-24,37,46H,7-10,12-15,36H2,1-2H3,(H,38,47)(H,39,54)(H,40,57)(H,41,56)(H,42,58)(H,43,49)(H,44,48)(H,45,55)(H,50,51)(H,52,53)(H,59,60)/t16-,17-,20-,22-,23-,24-/m0/s1
InChI KeyZRZROXNBKJAOKB-GFVHOAGBSA-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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
517Electric SwitchesElectrical & Electronic EquipmentNot Available
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 structureEndothiapepsinP11838Cryphonectria parasiticaPredicted (SEA)8.48557
Gastrin/cholecystokinin type B receptor structureClick to view 3D structureGastrin/cholecystokinin type B receptorP32239HumansPredicted (SEA)105.019
Click to view 3D structureEndothelin receptor type BP21451Rattus norvegicusPredicted (SEA)62.0458
Segment polarity protein dishevelled homolog DVL-2 structureClick to view 3D structureSegment polarity protein dishevelled homolog DVL-2O14641HumansPredicted (SEA)85.0114
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)334.44
Click to view 3D structureSubstance-K receptorP51144Mesocricetus auratusPredicted (SEA)115.373
Endothelin-1 receptor structureClick to view 3D structureEndothelin-1 receptorP25101HumansPredicted (SEA)87.8139
Click to view 3D structureGastrin/cholecystokinin type B receptorP56481Mus musculusPredicted (SEA)57.2192
Click to view 3D structureCholecystokinin receptor type AP30551Rattus norvegicusPredicted (SEA)75.5916
Click to view 3D structureSubstance-K receptorP16610Rattus norvegicusPredicted (SEA)129.074
Cholecystokinin receptor type A structureClick to view 3D structureCholecystokinin receptor type AP32238HumansPredicted (SEA)114.516
Click to view 3D structureChaperone SurAP0ABZ6Escherichia coli (strain K12)Predicted (SEA)89.7602
Click to view 3D structureGastrin/cholecystokinin type B receptorP30553Rattus norvegicusPredicted (SEA)73.7232
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)165.663
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)304.001
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)172.981
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)272.239
Click to view 3D structureCholecystokinin receptor type AQ63931Cavia porcellusPredicted (SEA)92.5627
Substance-P receptor structureClick to view 3D structureSubstance-P receptorP25103HumansPredicted (SEA)213.852
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)198.593
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)178.353
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)295.049
Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 structureClick to view 3D structureMembrane-associated guanylate kinase, WW and PDZ domain-containing protein 3Q5TCQ9HumansPredicted (SEA)69.1301
Frizzled-7 structureClick to view 3D structureFrizzled-7O75084HumansPredicted (SEA)83.3765
Endoplasmic reticulum aminopeptidase 1 structureClick to view 3D structureEndoplasmic reticulum aminopeptidase 1Q9NZ08HumansPredicted (SEA)51.614
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available