(4s)-4-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-[[2-[[(2s)-3-carboxy-1-[[(2s)-1-[[1-[[(2s)-1-[[(2s)-4-carboxy-1-[[2-[[2-[[2-[[(2s)-1-[[(1s)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid (CED0310337)

Record Information
Version1.0
Creation Date2026-09-01 08:31:28 UTC
Update Date2026-09-01 08:31:28 UTC
Accession NumberCHEM356054
Identification
Common Name(4s)-4-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-[[2-[[(2s)-3-carboxy-1-[[(2s)-1-[[1-[[(2s)-1-[[(2s)-4-carboxy-1-[[2-[[2-[[2-[[(2s)-1-[[(1s)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
ClassSmall Molecule
Description
(4s)-4-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-[[2-[[(2s)-3-carboxy-1-[[(2s)-1-[[1-[[(2s)-1-[[(2s)-4-carboxy-1-[[2-[[2-[[2-[[(2s)-1-[[(1s)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid has the chemical formula C63H97N19O26. With an average molecular weight of 1,537 g/mol, (4s)-4-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-[[2-[[(2s)-3-carboxy-1-[[(2s)-1-[[1-[[(2s)-1-[[(2s)-4-carboxy-1-[[2-[[2-[[2-[[(2s)-1-[[(1s)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC63H97N19O26
Average Molecular MassNot Available
Monoisotopic Mass1535.685 g/mol
CAS Registry Number25422-31-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)CC(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C)N
InChI IdentifierInChI=1S/C63H97N19O26/c1-29(2)19-37(57(102)73-32(6)53(98)76-35(15-17-48(91)92)55(100)70-24-43(85)68-23-42(84)69-25-46(88)82-51(30(3)4)61(106)77-36(62(107)108)13-10-18-67-63(65)66)79-58(103)38(20-33-11-8-7-9-12-33)80-59(104)39(21-49(93)94)75-45(87)27-71-54(99)34(14-16-47(89)90)74-44(86)26-72-56(101)41(28-83)81-60(105)40(22-50(95)96)78-52(97)31(5)64/h7-9,11-12,29-32,34-41,51,83H,10,13-28,64H2,1-6H3,(H,68,85)(H,69,84)(H,70,100)(H,71,99)(H,72,101)(H,73,102)(H,74,86)(H,75,87)(H,76,98)(H,77,106)(H,78,97)(H,79,103)(H,80,104)(H,81,105)(H,82,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,107,108)(H4,65,66,67)/t31-,32-,34-,35-,36-,37?,38-,39-,40-,41-,51-/m0/s1
InChI KeyJWICNZAGYSIBAR-LEEGLKINSA-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
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAtrial natriuretic peptide receptor 2P46197Bos taurusPredicted (SEA)0.233548
Tissue factor pathway inhibitor structureClick to view 3D structureTissue factor pathway inhibitorP10646HumansPredicted (SEA)12.0666
AP-1 complex subunit beta-1 structureClick to view 3D structureAP-1 complex subunit beta-1Q10567HumansPredicted (SEA)13.3901
Click to view 3D structureHyaluronan mediated motility receptorO75330HumansPredicted (SEA)0.856341
Click to view 3D structureHepatitis C virus NS4A proteinD2K2A8Hepatitis C virusPredicted (SEA)0.544945
Click to view 3D structureRibonucleoside-diphosphate reductase large subunitP07742Mus musculusPredicted (SEA)0.856341
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)62.1237
Click to view 3D structureBTB/POZ domain-containing protein KCTD11Q693B1HumansPredicted (SEA)24.8339
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)53.0153
Click to view 3D structureG protein-coupled receptor kinase 3P26818Bos taurusPredicted (SEA)21.0193
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)61.3452
Click to view 3D structureNociceptin receptorP35377Mus musculusPredicted (SEA)9.88685
Nociceptin receptor structureClick to view 3D structureNociceptin receptorP41146HumansPredicted (SEA)17.3604
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)46.9431
Atrial natriuretic peptide receptor 3 structureClick to view 3D structureAtrial natriuretic peptide receptor 3P17342HumansPredicted (SEA)8.87481
Click to view 3D structureGlucagon receptorP30082Rattus norvegicusPredicted (SEA)34.8764
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)97.5451
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)89.9158
Click to view 3D structureSubstance-K receptorP51144Mesocricetus auratusPredicted (SEA)10.3539
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)26.5466
Adenomatous polyposis coli protein structureClick to view 3D structureAdenomatous polyposis coli proteinP25054HumansPredicted (SEA)8.40772
Major capsid protein L1 structureClick to view 3D structureMajor capsid protein L1P03101Human papillomavirus 16Predicted (SEA)16.3483
Neuromedin-K receptor structureClick to view 3D structureNeuromedin-K receptorP29371HumansPredicted (SEA)11.2103
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)83.2208
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)45.5418
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available