(2s)-2,6-diamino-n-[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide (CED0310457)

Record Information
Version1.0
Creation Date2026-09-01 08:41:06 UTC
Update Date2026-09-01 08:41:06 UTC
Accession NumberCHEM356174
Identification
Common Name(2s)-2,6-diamino-n-[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
ClassSmall Molecule
Description
(2s)-2,6-diamino-n-[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide has the chemical formula C68H106N16O10. With an average molecular weight of 1,308 g/mol, (2s)-2,6-diamino-n-[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide is a heavy molecule. This compound is found in or released from one recorded source: household cleaning and consumer products (Tobacco Product Cases).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC68H106N16O10
Average Molecular MassNot Available
Monoisotopic Mass1306.828 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N
InChI IdentifierInChI=1S/C68H106N16O10/c1-41(2)56(66(92)78-51(31-17-21-35-71)61(87)79-53(37-44-23-9-7-10-24-44)63(89)76-50(59(74)85)30-16-20-34-70)83-65(91)55(39-46-40-75-49-29-14-13-27-47(46)49)80-64(90)54(38-45-25-11-8-12-26-45)81-67(93)57(42(3)4)84-68(94)58(43(5)6)82-62(88)52(32-18-22-36-72)77-60(86)48(73)28-15-19-33-69/h7-14,23-27,29,40-43,48,50-58,75H,15-22,28,30-39,69-73H2,1-6H3,(H2,74,85)(H,76,89)(H,77,86)(H,78,92)(H,79,87)(H,80,90)(H,81,93)(H,82,88)(H,83,91)(H,84,94)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1
InChI KeyRNOUELPALQZLKN-ZDDODZTPSA-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
567Tobacco Product CasesHousehold cleaning & consumer productsNot 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)59.3211
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)2.95827
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)59.9439
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)77.46
G-protein coupled receptor 15 structureClick to view 3D structureG-protein coupled receptor 15P49685HumansPredicted (SEA)7.23998
Dipeptidyl peptidase 3 structureClick to view 3D structureDipeptidyl peptidase 3Q9NY33HumansPredicted (SEA)3.42537
Click to view 3D structureDeoxyribonuclease-2-alphaO00115HumansPredicted (SEA)9.49761
Leukocyte surface antigen CD47 structureClick to view 3D structureLeukocyte surface antigen CD47Q08722HumansPredicted (SEA)0.0778492
Click to view 3D structureMonofunctional C1-tetrahydrofolate synthase, mitochondrialQ6UB35HumansPredicted (SEA)0.934191
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)3.34752
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)3.73676
Segment polarity protein dishevelled homolog DVL-2 structureClick to view 3D structureSegment polarity protein dishevelled homolog DVL-2O14641HumansPredicted (SEA)1.94623
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)9.49761
Click to view 3D structureSubstance-K receptorP51144Mesocricetus auratusPredicted (SEA)0.856341
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)5.2159
Melanocortin receptor 3 structureClick to view 3D structureMelanocortin receptor 3P41968HumansPredicted (SEA)7.47353
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)8.71911
Click to view 3D structureSubstance-K receptorP16610Rattus norvegicusPredicted (SEA)2.56902
Melanocortin receptor 5 structureClick to view 3D structureMelanocortin receptor 5P33032HumansPredicted (SEA)7.86277
Gastrin/cholecystokinin type B receptor structureClick to view 3D structureGastrin/cholecystokinin type B receptorP32239HumansPredicted (SEA)8.25202
Click to view 3D structureMelanocortin receptor 3P33033Mus musculusPredicted (SEA)8.56341
Click to view 3D structurePlatelet glycoprotein 4Q07969Rattus norvegicusPredicted (SEA)0.544945
Click to view 3D structureGastrin-releasing peptide receptorP52500Rattus norvegicusPredicted (SEA)5.60514
Growth/differentiation factor 8 structureClick to view 3D structureGrowth/differentiation factor 8O14793HumansPredicted (SEA)13.7015
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)50.057
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available