(2s)-n-[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide (CED0310438)

Record Information
Version1.0
Creation Date2026-09-01 08:39:38 UTC
Update Date2026-09-01 08:39:38 UTC
Accession NumberCHEM356155
Identification
Common Name(2s)-n-[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide
ClassSmall Molecule
Description
(2s)-n-[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide has the chemical formula C67H124N18O15. With an average molecular weight of 1,422 g/mol, (2s)-n-[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s,3s)-2-amino-3-methylpentanoyl]amino]butanediamide is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC67H124N18O15
Average Molecular MassNot Available
Monoisotopic Mass1420.949 g/mol
CAS Registry Number145854-59-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)N
InChI IdentifierInChI=1S/C67H124N18O15/c1-18-38(12)53(71)67(100)85-51(32-52(70)86)66(99)84-50(31-37(10)11)64(97)79-45(24-20-22-26-69)61(94)75-42(16)58(91)82-47(28-34(4)5)62(95)76-39(13)55(88)73-40(14)57(90)81-48(29-35(6)7)63(96)77-41(15)56(89)78-44(23-19-21-25-68)60(93)74-43(17)59(92)83-49(30-36(8)9)65(98)80-46(54(72)87)27-33(2)3/h33-51,53H,18-32,68-69,71H2,1-17H3,(H2,70,86)(H2,72,87)(H,73,88)(H,74,93)(H,75,94)(H,76,95)(H,77,96)(H,78,89)(H,79,97)(H,80,98)(H,81,90)(H,82,91)(H,83,92)(H,84,99)(H,85,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1
InChI KeyHOLQXBRPSSZJMZ-FGRXCANLSA-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
601Lawn MowersAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Thrombospondin-1 structureClick to view 3D structureThrombospondin-1P07996HumansPredicted (SEA)0.778492
Apoptosis-associated speck-like protein containing a CARD structureClick to view 3D structureApoptosis-associated speck-like protein containing a CARDQ9ULZ3HumansPredicted (SEA)25.4567
Click to view 3D structureProstaglandin F2-alpha receptorQ28905Ovis ariesPredicted (SEA)27.87
Click to view 3D structureG protein-coupled receptor kinase 3P26818Bos taurusPredicted (SEA)50.1349
Click to view 3D structureGlutathionylspermidine synthaseP90518Crithidia fasciculataPredicted (SEA)1.32344
SPRY domain-containing SOCS box protein 2 structureClick to view 3D structureSPRY domain-containing SOCS box protein 2Q99619HumansPredicted (SEA)2.10193
Complement C2 structureClick to view 3D structureComplement C2P06681HumansPredicted (SEA)8.56341
Tissue factor pathway inhibitor structureClick to view 3D structureTissue factor pathway inhibitorP10646HumansPredicted (SEA)63.7585
Click to view 3D structureHepatitis C virus NS4A proteinD2K2A8Hepatitis C virusPredicted (SEA)16.6597
AP-1 complex subunit beta-1 structureClick to view 3D structureAP-1 complex subunit beta-1Q10567HumansPredicted (SEA)55.6622
Click to view 3D structureFrizzled-1Q08463Rattus norvegicusPredicted (SEA)40.7151
Click to view 3D structureFrizzled-2Q08464Rattus norvegicusPredicted (SEA)40.7151
Click to view 3D structureMonofunctional C1-tetrahydrofolate synthase, mitochondrialQ6UB35HumansPredicted (SEA)68.3516
Growth/differentiation factor 8 structureClick to view 3D structureGrowth/differentiation factor 8O14793HumansPredicted (SEA)70.5314
Neuropeptide Y receptor type 4 structureClick to view 3D structureNeuropeptide Y receptor type 4P50391HumansPredicted (SEA)80.8853
HLA class II histocompatibility antigen, DRB1 beta chain structureClick to view 3D structureHLA class II histocompatibility antigen, DRB1 beta chainP01911HumansPredicted (SEA)23.1212
Telomeric repeat-binding factor 2 structureClick to view 3D structureTelomeric repeat-binding factor 2Q15554HumansPredicted (SEA)56.0514
Click to view 3D structurePhospholipid-transporting ATPase ABCA1P41233Mus musculusPredicted (SEA)65.4712
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)106.498
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)110.779
Chromobox protein homolog 7 structureClick to view 3D structureChromobox protein homolog 7O95931HumansPredicted (SEA)26.313
Click to view 3D structureNeuropeptide Y receptor type 5Q15761HumansPredicted (SEA)82.4423
Click to view 3D structureNeuropeptide Y receptor type 2Q9ERC0Rattus norvegicusPredicted (SEA)53.3267
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)150.015
Click to view 3D structureGlucagon-like peptide 2 receptorQ9Z0W0Rattus norvegicusPredicted (SEA)78.8613
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available