(2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-4-methylsulfonylbutanoyl]amino]hexanoic acid (CED0303285)

Record Information
Version1.0
Creation Date2026-08-31 19:38:57 UTC
Update Date2026-08-31 19:38:57 UTC
Accession NumberCHEM348894
Identification
Common Name(2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-4-methylsulfonylbutanoyl]amino]hexanoic acid
ClassSmall Molecule
Description
(2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-4-methylsulfonylbutanoyl]amino]hexanoic acid has the chemical formula C33H65N5O7S. With an average molecular weight of 676.00 g/mol, (2s)-6-amino-2-[[(2s)-2-[[(2s)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-4-methylsulfonylbutanoyl]amino]hexanoic acid is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC33H65N5O7S
Average Molecular MassNot Available
Monoisotopic Mass675.460 g/mol
CAS Registry Number1101448-24-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CCS(=O)(=O)C)C(=O)NC(CCCCN)C(=O)O
InChI IdentifierInChI=1S/C33H65N5O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-30(39)36-27(20-16-18-24-34)31(40)37-28(23-26-46(2,44)45)32(41)38-29(33(42)43)21-17-19-25-35/h27-29H,3-26,34-35H2,1-2H3,(H,36,39)(H,37,40)(H,38,41)(H,42,43)/t27-,28-,29-/m0/s1
InChI KeyRGXYBFJDNNODFP-AWCRTANDSA-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
4937.0Log mg/kg[2800:8800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcetylcholine receptor subunit deltaQ07001HumansPredicted (SEA)10.0426
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)157.723
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)66.6389
Click to view 3D structureDihydroxyacetone phosphate acyltransferaseO15228HumansPredicted (SEA)1.86838
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)149.938
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)5.3716
Click to view 3D structureProteasome component C5P23724Saccharomyces cerevisiae S288cPredicted (SEA)30.7504
Stromelysin-2 structureClick to view 3D structureStromelysin-2P09238HumansPredicted (SEA)28.8821
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)133.589
Click to view 3D structureHepatitis C virus NS4A proteinD2K2A8Hepatitis C virusPredicted (SEA)32.3074
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)122.69
Toll-like receptor 2 structureClick to view 3D structureToll-like receptor 2O60603HumansPredicted (SEA)1.63483
Ceramide transfer protein structureClick to view 3D structureCeramide transfer proteinQ9Y5P4HumansPredicted (SEA)5.29375
Click to view 3D structurePeptidylglycine alpha-amidating monooxygenaseP14925Rattus norvegicusPredicted (SEA)35.9663
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)15.492
Click to view 3D structureCaM kinase I alphaO04417Zea maysPredicted (SEA)16.0369
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)59.7104
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)81.586
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)59.0876
Click to view 3D structureNeuroendocrine convertase 1P29120HumansPredicted (SEA)54.6502
Furin structureClick to view 3D structureFurinP09958HumansPredicted (SEA)77.6157
Click to view 3D structureToll-like receptor 2Q9QUN7Mus musculusPredicted (SEA)0.311397
Click to view 3D structureGlutathionylspermidine synthaseP90518Crithidia fasciculataPredicted (SEA)0.311397
Palmitoyl-protein thioesterase 1 structureClick to view 3D structurePalmitoyl-protein thioesterase 1P50897HumansPredicted (SEA)0.311397
Thrombospondin-1 structureClick to view 3D structureThrombospondin-1P07996HumansPredicted (SEA)12.378
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available