(2r)-n-[(2r,3s)-1-[[(2s,3s)-1-[[(2s)-1-[[(3s,6s,9s,12r,13s)-6-[[(5s)-2-amino-4,5-dihydro-1h-imidazol-5-yl]methyl]-3-[(2s)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2s)-3-hydroxy-2-[[(2s,3s)-3-methyl-2-[[(2r)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanediamide (CED0309701)

Record Information
Version1.0
Creation Date2026-09-01 07:37:26 UTC
Update Date2026-09-01 07:37:26 UTC
Accession NumberCHEM355382
Identification
Common Name(2r)-n-[(2r,3s)-1-[[(2s,3s)-1-[[(2s)-1-[[(3s,6s,9s,12r,13s)-6-[[(5s)-2-amino-4,5-dihydro-1h-imidazol-5-yl]methyl]-3-[(2s)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2s)-3-hydroxy-2-[[(2s,3s)-3-methyl-2-[[(2r)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanediamide
ClassSmall Molecule
Description
(2r)-n-[(2r,3s)-1-[[(2s,3s)-1-[[(2s)-1-[[(3s,6s,9s,12r,13s)-6-[[(5s)-2-amino-4,5-dihydro-1h-imidazol-5-yl]methyl]-3-[(2s)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2s)-3-hydroxy-2-[[(2s,3s)-3-methyl-2-[[(2r)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanediamide is a chemical compound with the formula C58H95N15O15. With an average molecular weight of 1,242 g/mol, (2r)-n-[(2r,3s)-1-[[(2s,3s)-1-[[(2s)-1-[[(3s,6s,9s,12r,13s)-6-[[(5s)-2-amino-4,5-dihydro-1h-imidazol-5-yl]methyl]-3-[(2s)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2s)-3-hydroxy-2-[[(2s,3s)-3-methyl-2-[[(2r)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanediamide is a heavy molecule. This substance is associated with four recorded sources. These include Electrical & Electronic Equipment, specifically antennas and electric hearing aids, as well as Building & Construction, specifically stairs and ramps. Additionally, it is found in Food, food processing & cookware in the context of the treatment of hops.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC58H95N15O15
Average Molecular MassNot Available
Monoisotopic Mass1241.713 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C1C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)N1)CC2CN=C(N2)N)C)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(CC3=CC=CC=C3)NC)C
InChI IdentifierInChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1
InChI KeyLMBFAGIMSUYTBN-MPZNNTNKSA-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
500Stairs And RampsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
584BuoysMarine, shipping & aquacultureNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
634BucklesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Rhombotin-2 structureClick to view 3D structureRhombotin-2P25791HumansPredicted (SEA)68.2738
Click to view 3D structureReceptor-histidine kinase AgrCO07911Staphylococcus aureusPredicted (SEA)8.09632
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)52.8596
Click to view 3D structureKallikrein-12Q9UKR0HumansPredicted (SEA)0.467095
Click to view 3D structureG protein-coupled receptor kinase 3P26818Bos taurusPredicted (SEA)92.3292
Click to view 3D structureAtrial natriuretic peptide receptor 2P46197Bos taurusPredicted (SEA)78.0828
Atrial natriuretic peptide receptor 3 structureClick to view 3D structureAtrial natriuretic peptide receptor 3P17342HumansPredicted (SEA)89.2152
Beclin-1 structureClick to view 3D structureBeclin-1Q14457HumansPredicted (SEA)97.078
Coagulation factor XI structureClick to view 3D structureCoagulation factor XIP03951HumansPredicted (SEA)135.146
BTB/POZ domain-containing protein KCTD12 structureClick to view 3D structureBTB/POZ domain-containing protein KCTD12Q96CX2HumansPredicted (SEA)92.8741
Click to view 3D structureCalcitonin receptorP32214Rattus norvegicusPredicted (SEA)93.4969
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)327.823
Click to view 3D structureG-protein coupled receptor MthO97148Drosophila melanogasterPredicted (SEA)126.661
Click to view 3D structureCorticotropin-releasing factor receptor 1P35347Mus musculusPredicted (SEA)82.9094
Click to view 3D structureGlucagon-like peptide 2 receptorQ9Z0W0Rattus norvegicusPredicted (SEA)111.947
Click to view 3D structurecAMP-dependent protein kinase type II-beta regulatory subunitP31323HumansPredicted (SEA)55.4286
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)496.055
Glucagon-like peptide 2 receptor structureClick to view 3D structureGlucagon-like peptide 2 receptorO95838HumansPredicted (SEA)116.151
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)161.148
Tissue-type plasminogen activator structureClick to view 3D structureTissue-type plasminogen activatorP00750HumansPredicted (SEA)192.599
Corticotropin-releasing factor receptor 1 structureClick to view 3D structureCorticotropin-releasing factor receptor 1P34998HumansPredicted (SEA)88.6703
Neutrophil elastase structureClick to view 3D structureNeutrophil elastaseP08246HumansPredicted (SEA)113.66
Click to view 3D structureEndothelin receptor type BQ9N0W7Oryctolagus cuniculusPredicted (SEA)81.8195
Click to view 3D structureCorticotropin-releasing factor receptor 2Q60748Mus musculusPredicted (SEA)87.8139
Growth/differentiation factor 8 structureClick to view 3D structureGrowth/differentiation factor 8O14793HumansPredicted (SEA)138.416
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available