(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid (CED0295940)

Record Information
Version1.0
Creation Date2026-08-31 08:29:16 UTC
Update Date2026-08-31 08:29:16 UTC
Accession NumberCHEM341477
Identification
Common Name(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
ClassSmall Molecule
Description
(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid is a compound with the formula C26H45N7O11. With an average molecular weight of 631.70 g/mol, (2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-1-[(2s,3r)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC26H45N7O11
Average Molecular MassNot Available
Monoisotopic Mass631.318 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)O)N)O
InChI IdentifierInChI=1S/C26H45N7O11/c1-13(29-24(41)18-7-5-11-33(18)25(42)20(28)14(2)35)21(38)30-15(6-3-4-10-27)22(39)32-17(12-34)23(40)31-16(26(43)44)8-9-19(36)37/h13-18,20,34-35H,3-12,27-28H2,1-2H3,(H,29,41)(H,30,38)(H,31,40)(H,32,39)(H,36,37)(H,43,44)/t13-,14+,15-,16-,17-,18-,20-/m0/s1
InChI KeyWOLCYLGMDRGTGM-OGQIGFOHSA-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
6538.0Log mg/kg[3700:12000]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 structureProprotein convertase subtilisin/kexin type 4Q6UW60HumansPredicted (SEA)1.63483
Click to view 3D structureProprotein convertase subtilisin/kexin type 6Q63415Rattus norvegicusPredicted (SEA)1.63483
Adapter molecule crk structureClick to view 3D structureAdapter molecule crkP46108HumansPredicted (SEA)11.7552
Lysine-specific demethylase PHF2 structureClick to view 3D structureLysine-specific demethylase PHF2O75151HumansPredicted (SEA)8.56341
Click to view 3D structureNeuronal acetylcholine receptor subunit alpha-10Q9GZZ6HumansPredicted (SEA)4.5931
Telomeric repeat-binding factor 2 structureClick to view 3D structureTelomeric repeat-binding factor 2Q15554HumansPredicted (SEA)19.1509
Click to view 3D structureC5a anaphylatoxin chemotactic receptor 1P30993Mus musculusPredicted (SEA)30.5169
Click to view 3D structureApical membrane antigen 1Q7KQK5Plasmodium falciparum (isolate 3D7)Predicted (SEA)42.5835
HLA class II histocompatibility antigen, DR beta 3 chain structureClick to view 3D structureHLA class II histocompatibility antigen, DR beta 3 chainP79483HumansPredicted (SEA)1.55698
Mannan-binding lectin serine protease 1 structureClick to view 3D structureMannan-binding lectin serine protease 1P48740HumansPredicted (SEA)31.6068
Appetite-regulating hormone structureClick to view 3D structureAppetite-regulating hormoneQ9UBU3HumansPredicted (SEA)37.2119
Click to view 3D structureAppetite-regulating hormoneQ9BDJ6Bos taurusPredicted (SEA)37.7569
Click to view 3D structureG-protein coupled receptor MthO97148Drosophila melanogasterPredicted (SEA)54.5723
Click to view 3D structureNeuropilin-1Q9QWJ9Rattus norvegicusPredicted (SEA)6.53933
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)68.9744
Furin structureClick to view 3D structureFurinP09958HumansPredicted (SEA)18.9952
G-protein coupled receptor 15 structureClick to view 3D structureG-protein coupled receptor 15P49685HumansPredicted (SEA)40.793
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)169.556
Click to view 3D structureG2/mitotic-specific cyclin-B1P30277Rattus norvegicusPredicted (SEA)21.5642
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP09610Mesocricetus auratusPredicted (SEA)14.9471
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)91.0836
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)84.7
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)164.34
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)142.153
Click to view 3D structurePhospholipid-transporting ATPase ABCA1P41233Mus musculusPredicted (SEA)52.4704
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available