(2s)-2-acetamido-4-methyl-n-[(2s)-4-methyl-1-[[(2s)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide (CED0056800)

Record Information

Version

1.0

Creation Date

2026-08-20 04:20:49 UTC

Update Date

2026-08-20 04:20:49 UTC

SynCED ID

CED0056800

Secondary Accession Numbers

CHEM199930

Identification

Common Name

(2s)-2-acetamido-4-methyl-n-[(2s)-4-methyl-1-[[(2s)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide

Class

Small Molecule

Description

(2s)-2-acetamido-4-methyl-n-[(2s)-4-methyl-1-[[(2s)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide 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 C19H35N3O4S and an average molecular weight of 401.60 g/mol. It is recorded as being found in or released from four specific sources associated with electrical and electronic equipment. These sources include amplifiers, relays, gas filled discharge tubes with solid cathodes, and discharge tubes with liquid pool cathodes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₃₅N₃O₄S

Average Molecular Mass

401.600 g/mol

Monoisotopic Mass

401.235 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1

InChI Key

RJWLAIMXRBDUMH-ULQDDVLXSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2522.0 Log mg/kg [1400:4500]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	Not Available
CEDs000515	Discharge Tubes With Liquid Pool Cathodes?Discharge tubes with liquid pool cathodes are devices that utilize a liquid metal as the cathode in gas discharge applications.	Electrical & Electronic Equipment	Not Available
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	Not Available
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000523	Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.	Electrical & Electronic Equipment	Not Available
CEDs000531	Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.	Electrical & Electronic Equipment	Not Available
CEDs000583	Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.	Marine, shipping & aquaculture	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Calpain-1 catalytic subunit	P07384	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.37 Statistical Significance 0.0238 Supporting Reference Compounds 47 E-value 185.593
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.37 Statistical Significance 0.0933 Supporting Reference Compounds 215 E-value 726.1
Click to view 3D structure	Calpain-9	O14815	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.37 Statistical Significance 0.0175 Supporting Reference Compounds 8 E-value 136.08
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.303 Statistical Significance 0.1407 Supporting Reference Compounds 167 E-value 1095.65
Click to view 3D structure	Cathepsin B	P07688	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.23 Low confidence Statistical Significance 0.0428 Supporting Reference Compounds 12 E-value 333.273
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.237 Low confidence Statistical Significance 0.333 Supporting Reference Compounds 173 E-value 2592.46
Click to view 3D structure	Substance-P receptor	P30547	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.225 Low confidence Statistical Significance 0.1305 Supporting Reference Compounds 29 E-value 1015.7
Click to view 3D structure	Squalene synthetase	Q6IE76	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0335 Supporting Reference Compounds 1 E-value 261.106
Click to view 3D structure	Complement C2	P06681	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0188 Supporting Reference Compounds 1 E-value 146.512
Click to view 3D structure	Neuromedin-K receptor	P30098	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.225 Low confidence Statistical Significance 0.1154 Supporting Reference Compounds 17 E-value 898.614
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.212 Low confidence Statistical Significance 0.4713 Supporting Reference Compounds 129 E-value 3669.03
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.189 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.8034
Click to view 3D structure	Calpain-1 catalytic subunit	P35750	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.237 Low confidence Statistical Significance 0.0731 Supporting Reference Compounds 15 E-value 569.156
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.217 Low confidence Statistical Significance 0.1612 Supporting Reference Compounds 40 E-value 1254.85
Click to view 3D structure	Caspase-8	Q14790	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.221 Low confidence Statistical Significance 0.1772 Supporting Reference Compounds 38 E-value 1379.41
Click to view 3D structure	Cysteine protease	Q95WR6	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.212 Low confidence Statistical Significance 0.0162 Supporting Reference Compounds 2 E-value 125.882
Click to view 3D structure	Neuromedin-K receptor	P16177	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.191 Low confidence Statistical Significance 0.2805 Supporting Reference Compounds 31 E-value 2183.9
Click to view 3D structure	Falcipain 2	Q9N6S8	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.212 Low confidence Statistical Significance 0.2235 Supporting Reference Compounds 28 E-value 1740.09
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.217 Low confidence Statistical Significance 0.0637 Supporting Reference Compounds 8 E-value 496.211
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.209 Low confidence Statistical Significance 0.1427 Supporting Reference Compounds 18 E-value 1111.06
Click to view 3D structure	Caspase-9	P55211	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.221 Low confidence Statistical Significance 0.1986 Supporting Reference Compounds 30 E-value 1546.01
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.217 Low confidence Statistical Significance 0.233 Supporting Reference Compounds 42 E-value 1814.12
Click to view 3D structure	Papain	P00784	Carica papaya	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.212 Low confidence Statistical Significance 0.232 Supporting Reference Compounds 35 E-value 1806.34
Click to view 3D structure	Plasminogen	P06868	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.216 Low confidence Statistical Significance 0.03 Supporting Reference Compounds 4 E-value 233.937
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.188 Low confidence Statistical Significance 0.737 Supporting Reference Compounds 141 E-value 5737.41