(4s)-5-[[(2s)-4-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-5-amino-1-[[2-[[2-[(2s)-2-[[(1s)-4-carbamimidamido-1-carboxybutyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid (CED0241956)

Record Information
Version1.0
Creation Date2026-08-28 03:58:59 UTC
Update Date2026-08-28 03:58:59 UTC
SynCED IDCED0241956
Secondary Accession Numbers
  • CHEM286213
Identification
Common Name(4s)-5-[[(2s)-4-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-5-amino-1-[[2-[[2-[(2s)-2-[[(1s)-4-carbamimidamido-1-carboxybutyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
ClassSmall Molecule
Description
(4s)-5-[[(2s)-4-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-5-amino-1-[[2-[[2-[(2s)-2-[[(1s)-4-carbamimidamido-1-carboxybutyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 3,339 g/mol, (4s)-5-[[(2s)-4-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-1-[[(2s,3s)-1-[[(2s)-5-amino-1-[[2-[[2-[(2s)-2-[[(1s)-4-carbamimidamido-1-carboxybutyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid is a heavy molecule. Its chemical formula is C147H253N45O43.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC147H253N45O43
Average Molecular MassNot Available
Monoisotopic Mass3336.899 g/mol
CAS Registry Number125667-96-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C(C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CO)N
InChI IdentifierInChI=1S/C147H253N45O43/c1-18-75(9)113(140(229)167-81(15)120(209)188-114(76(10)19-2)141(230)168-82(16)121(210)189-115(77(11)20-3)142(231)178-94(47-50-106(154)198)123(212)164-66-108(200)163-68-110(202)192-60-36-46-105(192)139(228)179-97(145(234)235)45-35-59-161-147(158)159)187-109(201)67-165-124(213)95(48-51-111(203)204)176-138(227)104(72-196)186-143(232)116(78(12)21-4)190-130(219)93(44-34-58-160-146(156)157)174-127(216)90(41-26-31-55-150)172-125(214)88(39-24-29-53-148)170-118(207)79(13)166-136(225)102(70-194)184-135(224)101(64-107(155)199)183-129(218)96(49-52-112(205)206)177-132(221)98(61-73(5)6)181-128(217)91(42-27-32-56-151)173-126(215)89(40-25-30-54-149)171-119(208)80(14)169-144(233)117(83(17)197)191-131(220)92(43-28-33-57-152)175-137(226)103(71-195)185-133(222)99(62-74(7)8)182-134(223)100(180-122(211)86(153)69-193)63-84-65-162-87-38-23-22-37-85(84)87/h22-23,37-38,65,73-83,86,88-105,113-117,162,193-197H,18-21,24-36,39-64,66-72,148-153H2,1-17H3,(H2,154,198)(H2,155,199)(H,163,200)(H,164,212)(H,165,213)(H,166,225)(H,167,229)(H,168,230)(H,169,233)(H,170,207)(H,171,208)(H,172,214)(H,173,215)(H,174,216)(H,175,226)(H,176,227)(H,177,221)(H,178,231)(H,179,228)(H,180,211)(H,181,217)(H,182,223)(H,183,218)(H,184,224)(H,185,222)(H,186,232)(H,187,201)(H,188,209)(H,189,210)(H,190,219)(H,191,220)(H,203,204)(H,205,206)(H,234,235)(H4,156,157,160)(H4,158,159,161)/t75-,76-,77-,78-,79-,80-,81-,82-,83+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-,116-,117-/m0/s1
InChI KeyPRIVBYDFWSFUFP-RJLJEYQFSA-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
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureDickkopf WNT-signaling pathway inhibitor 1A6I0Z0Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.624
Applicability Domain
0.624
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.49761
Click to view 3D structureGlucagon receptorP30082Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.623
Applicability Domain
0.769
Statistical Significance
0.0011
Supporting Reference Compounds
15
E-value
8.95266
Gastric inhibitory polypeptide receptor structureClick to view 3D structureGastric inhibitory polypeptide receptorP48546HumansPredicted (SEA)
Prediction Confidence Score
0.621
Applicability Domain
0.684
Statistical Significance
3.40e-04
Supporting Reference Compounds
22
E-value
2.64687
Glucagon receptor structureClick to view 3D structureGlucagon receptorP47871HumansPredicted (SEA)
Prediction Confidence Score
0.62
Applicability Domain
0.684
Statistical Significance
9.10e-04
Supporting Reference Compounds
46
E-value
7.08428
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)
Prediction Confidence Score
0.618
Applicability Domain
0.769
Statistical Significance
0.0012
Supporting Reference Compounds
65
E-value
9.41976
Caveolin-1 structureClick to view 3D structureCaveolin-1Q03135HumansPredicted (SEA)
Prediction Confidence Score
0.615
Applicability Domain
0.615
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.73115
Click to view 3D structureGlucagon-like peptide 1 receptorF8V479Macaca fascicularisPredicted (SEA)
Prediction Confidence Score
0.612
Applicability Domain
0.667
Statistical Significance
5.20e-04
Supporting Reference Compounds
3
E-value
4.04816
Apical membrane antigen 1 structureClick to view 3D structureApical membrane antigen 1Q7KQK5Plasmodium falciparum (isolate 3D7)Predicted (SEA)
Prediction Confidence Score
0.605
Applicability Domain
0.605
Statistical Significance
9.40e-04
Supporting Reference Compounds
1
E-value
7.31783
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.603
Applicability Domain
0.731
Statistical Significance
0.0022
Supporting Reference Compounds
199
E-value
17.3604
Click to view 3D structureGlucagon receptorQ61606Mus musculusPredicted (SEA)
Prediction Confidence Score
0.601
Applicability Domain
0.723
Statistical Significance
9.40e-04
Supporting Reference Compounds
13
E-value
7.31783
G-protein coupled receptor 15 structureClick to view 3D structureG-protein coupled receptor 15P49685HumansPredicted (SEA)
Prediction Confidence Score
0.601
Applicability Domain
0.601
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Click to view 3D structureG protein-coupled receptor kinase 3P26818Bos taurusPredicted (SEA)
Prediction Confidence Score
0.6
Applicability Domain
0.6
Statistical Significance
0.0014
Supporting Reference Compounds
1
E-value
10.5875
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.595
Applicability Domain
0.731
Statistical Significance
0.0028
Supporting Reference Compounds
532
E-value
22.1092
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.595
Applicability Domain
0.731
Statistical Significance
0.0031
Supporting Reference Compounds
427
E-value
24.289
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.594
Applicability Domain
0.731
Statistical Significance
0.0027
Supporting Reference Compounds
186
E-value
20.8636
Apoptosis-associated speck-like protein containing a CARD structureClick to view 3D structureApoptosis-associated speck-like protein containing a CARDQ9ULZ3HumansPredicted (SEA)
Prediction Confidence Score
0.588
Applicability Domain
0.588
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
G-protein coupled receptor Mth structureClick to view 3D structureG-protein coupled receptor MthO97148Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.731
Applicability Domain
0.731
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)
Prediction Confidence Score
0.715
Applicability Domain
0.769
Statistical Significance
9.40e-04
Supporting Reference Compounds
67
E-value
7.31783
Click to view 3D structureSclerostinQ99P67Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.704
Applicability Domain
0.704
Statistical Significance
4.70e-04
Supporting Reference Compounds
1
E-value
3.65891
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)
Prediction Confidence Score
0.672
Applicability Domain
0.769
Statistical Significance
0.001
Supporting Reference Compounds
57
E-value
7.94062
Click to view 3D structureGlucagon-1O42143Xenopus laevisPredicted (SEA)
Prediction Confidence Score
0.669
Applicability Domain
0.669
Statistical Significance
2.60e-04
Supporting Reference Compounds
1
E-value
2.02408
Click to view 3D structureGlucagon-like peptide 2 receptorQ9Z0W0Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.658
Applicability Domain
0.658
Statistical Significance
6.00e-04
Supporting Reference Compounds
1
E-value
4.67095
Glucagon-like peptide 2 receptor structureClick to view 3D structureGlucagon-like peptide 2 receptorO95838HumansPredicted (SEA)
Prediction Confidence Score
0.653
Applicability Domain
0.658
Statistical Significance
6.00e-04
Supporting Reference Compounds
4
E-value
4.67095
Click to view 3D structureGlucagon-like peptide 1 receptorO35659Mus musculusPredicted (SEA)
Prediction Confidence Score
0.631
Applicability Domain
0.723
Statistical Significance
0.001
Supporting Reference Compounds
8
E-value
7.94062
Prolactin-releasing peptide structureClick to view 3D structureProlactin-releasing peptideP81277HumansPredicted (SEA)
Prediction Confidence Score
0.628
Applicability Domain
0.628
Statistical Significance
3.40e-04
Supporting Reference Compounds
1
E-value
2.64687
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available