(4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid (CED0232150)

Record Information
Version1.0
Creation Date2026-08-26 20:07:39 UTC
Update Date2026-08-26 20:07:39 UTC
SynCED IDCED0232150
Secondary Accession Numbers
  • CHEM276005
Identification
Common Name(4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
ClassSmall Molecule
Description
(4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 2,311 g/mol, (4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid is a heavy molecule. Its formula is C114H156N24O28.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC114H156N24O28
Average Molecular MassNot Available
Monoisotopic Mass2309.152 g/mol
CAS Registry Number388566-97-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC(=O)O)NC(=O)C
InChI IdentifierInChI=1S/C114H156N24O28/c1-64(2)96(114(166)123-67(5)98(150)125-83(48-50-93(143)144)105(157)126-80(41-23-27-53-117)104(156)133-86(57-71-33-15-9-16-34-71)107(159)128-79(40-22-26-52-116)103(155)130-82(47-49-92(141)142)102(154)122-65(3)99(151)131-84(97(119)149)55-69-29-11-7-12-30-69)138-106(158)81(42-24-28-54-118)129-113(165)91(62-95(147)148)137-110(162)88(59-73-43-45-75(140)46-44-73)134-109(161)85(56-70-31-13-8-14-32-70)132-100(152)66(4)121-101(153)78(39-21-25-51-115)127-108(160)87(58-72-35-17-10-18-36-72)135-111(163)89(60-74-63-120-77-38-20-19-37-76(74)77)136-112(164)90(61-94(145)146)124-68(6)139/h7-20,29-38,43-46,63-67,78-91,96,120,140H,21-28,39-42,47-62,115-118H2,1-6H3,(H2,119,149)(H,121,153)(H,122,154)(H,123,166)(H,124,139)(H,125,150)(H,126,157)(H,127,160)(H,128,159)(H,129,165)(H,130,155)(H,131,151)(H,132,152)(H,133,156)(H,134,161)(H,135,163)(H,136,164)(H,137,162)(H,138,158)(H,141,142)(H,143,144)(H,145,146)(H,147,148)/t65-,66-,67-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,96-/m0/s1
InChI KeyZKKBZMXTFBAQLP-PINGPBTISA-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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
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
Frizzled-7 structureClick to view 3D structureFrizzled-7O75084HumansPredicted (SEA)
Prediction Confidence Score
0.623
Applicability Domain
0.627
Statistical Significance
9.00e-05
Supporting Reference Compounds
2
E-value
0.700643
Segment polarity protein dishevelled homolog DVL-2 structureClick to view 3D structureSegment polarity protein dishevelled homolog DVL-2O14641HumansPredicted (SEA)
Prediction Confidence Score
0.598
Applicability Domain
0.598
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Leukocyte surface antigen CD47 structureClick to view 3D structureLeukocyte surface antigen CD47Q08722HumansPredicted (SEA)
Prediction Confidence Score
0.587
Applicability Domain
0.587
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Click to view 3D structureMelanocortin receptor 5P41149Mus musculusPredicted (SEA)
Prediction Confidence Score
0.586
Applicability Domain
0.586
Statistical Significance
5.30e-04
Supporting Reference Compounds
29
E-value
4.12601
Tissue factor pathway inhibitor structureClick to view 3D structureTissue factor pathway inhibitorP10646HumansPredicted (SEA)
Prediction Confidence Score
0.586
Applicability Domain
0.586
Statistical Significance
0.0017
Supporting Reference Compounds
1
E-value
13.4679
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)
Prediction Confidence Score
0.575
Applicability Domain
0.586
Statistical Significance
6.20e-04
Supporting Reference Compounds
34
E-value
4.82665
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.572
Applicability Domain
0.646
Statistical Significance
0.004
Supporting Reference Compounds
427
E-value
30.9061
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)
Prediction Confidence Score
0.572
Applicability Domain
0.646
Statistical Significance
0.0031
Supporting Reference Compounds
166
E-value
23.8997
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.572
Applicability Domain
0.646
Statistical Significance
0.0037
Supporting Reference Compounds
229
E-value
29.0378
Gastrin/cholecystokinin type B receptor structureClick to view 3D structureGastrin/cholecystokinin type B receptorP32239HumansPredicted (SEA)
Prediction Confidence Score
0.571
Applicability Domain
0.646
Statistical Significance
7.40e-04
Supporting Reference Compounds
55
E-value
5.76084
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.567
Applicability Domain
0.646
Statistical Significance
0.0038
Supporting Reference Compounds
186
E-value
29.2713
Click to view 3D structureMelanocyte-stimulating hormone receptorQ01727Mus musculusPredicted (SEA)
Prediction Confidence Score
0.564
Applicability Domain
0.586
Statistical Significance
7.20e-04
Supporting Reference Compounds
31
E-value
5.60514
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)
Prediction Confidence Score
0.562
Applicability Domain
0.586
Statistical Significance
0.0016
Supporting Reference Compounds
96
E-value
12.4559
Cholecystokinin receptor type A structureClick to view 3D structureCholecystokinin receptor type AP32238HumansPredicted (SEA)
Prediction Confidence Score
0.558
Applicability Domain
0.646
Statistical Significance
4.90e-04
Supporting Reference Compounds
43
E-value
3.81461
Alpha-cobratoxin structureClick to view 3D structureAlpha-cobratoxinP01391Naja kaouthiaPredicted (SEA)
Prediction Confidence Score
0.553
Applicability Domain
0.553
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.41976
Melanocortin receptor 3 structureClick to view 3D structureMelanocortin receptor 3P41968HumansPredicted (SEA)
Prediction Confidence Score
0.549
Applicability Domain
0.586
Statistical Significance
0.001
Supporting Reference Compounds
45
E-value
8.01847
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)
Prediction Confidence Score
0.548
Applicability Domain
0.56
Statistical Significance
0.0041
Supporting Reference Compounds
67
E-value
31.7625
Melanocortin receptor 5 structureClick to view 3D structureMelanocortin receptor 5P33032HumansPredicted (SEA)
Prediction Confidence Score
0.546
Applicability Domain
0.586
Statistical Significance
0.0011
Supporting Reference Compounds
48
E-value
8.25202
Melanocyte-stimulating hormone receptor structureClick to view 3D structureMelanocyte-stimulating hormone receptorQ01726HumansPredicted (SEA)
Prediction Confidence Score
0.545
Applicability Domain
0.586
Statistical Significance
0.0015
Supporting Reference Compounds
38
E-value
11.5217
Growth/differentiation factor 8 structureClick to view 3D structureGrowth/differentiation factor 8O14793HumansPredicted (SEA)
Prediction Confidence Score
0.542
Applicability Domain
0.571
Statistical Significance
8.50e-04
Supporting Reference Compounds
2
E-value
6.61718
Gastric inhibitory polypeptide receptor structureClick to view 3D structureGastric inhibitory polypeptide receptorQ0P543Mus musculusPredicted (SEA)
Prediction Confidence Score
0.541
Applicability Domain
0.541
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.5819
Click to view 3D structureGastrin/cholecystokinin type B receptorP79266Bos taurusPredicted (SEA)
Prediction Confidence Score
0.534
Applicability Domain
0.534
Statistical Significance
2.50e-04
Supporting Reference Compounds
1
E-value
1.94623
Click to view 3D structureMelanocortin receptor 3P33033Mus musculusPredicted (SEA)
Prediction Confidence Score
0.529
Applicability Domain
0.541
Statistical Significance
0.0012
Supporting Reference Compounds
23
E-value
9.34191
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.528
Applicability Domain
0.563
Statistical Significance
0.0071
Supporting Reference Compounds
527
E-value
55.1172
Click to view 3D structureGlucagon receptorP30082Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.526
Applicability Domain
0.595
Statistical Significance
0.0031
Supporting Reference Compounds
15
E-value
23.8997
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available