(4s)-5-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-2-[[(2s)-1-[2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid (CED0314428)

Record Information
Version1.0
Creation Date2026-09-01 14:28:36 UTC
Update Date2026-09-01 14:28:36 UTC
Accession NumberCHEM360328
Identification
Common Name(4s)-5-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-2-[[(2s)-1-[2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid
ClassSmall Molecule
Description
(4s)-5-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-2-[[(2s)-1-[2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid has the chemical formula C97H124N20O31S. With an average molecular weight of 2,098 g/mol, (4s)-5-[[(2s)-1-[[(2s)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-2-[[(2s)-3-(1h-indol-3-yl)-2-[[(2s)-1-[2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-5-oxopentanoic acid is a heavy molecule. This compound is found in or released from two recorded sources: antennas and video games, both categorized under electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC97H124N20O31S
Average Molecular MassNot Available
Monoisotopic Mass2096.846 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C7CCCN7C(=O)CNC(=O)C8CCC(=O)N8
InChI IdentifierInChI=1S/C97H124N20O31S/c1-49(2)39-68(114-95(146)71(43-54-46-100-59-18-11-9-16-57(54)59)116-97(148)73-19-12-37-117(73)76(121)48-102-85(136)60-24-30-74(119)104-60)93(144)110-65(29-35-81(130)131)91(142)109-64(28-34-80(128)129)90(141)108-63(27-33-79(126)127)89(140)107-62(26-32-78(124)125)88(139)106-61(25-31-77(122)123)87(138)103-50(3)84(135)113-69(41-52-20-22-55(118)23-21-52)86(137)101-47-75(120)105-70(42-53-45-99-58-17-10-8-15-56(53)58)94(145)111-66(36-38-149-4)92(143)115-72(44-82(132)133)96(147)112-67(83(98)134)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,60-73,99-100,118H,12,19,24-44,47-48H2,1-4H3,(H2,98,134)(H,101,137)(H,102,136)(H,103,138)(H,104,119)(H,105,120)(H,106,139)(H,107,140)(H,108,141)(H,109,142)(H,110,144)(H,111,145)(H,112,147)(H,113,135)(H,114,146)(H,115,143)(H,116,148)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)/t50-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
InChI KeyGKDWRERMBNGKCZ-RNXBIMIWSA-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
506AntennasElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAlpha-cobratoxinP01391Naja kaouthiaPredicted (SEA)5.68299
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)30.2055
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)28.5707
Substance-P receptor structureClick to view 3D structureSubstance-P receptorP25103HumansPredicted (SEA)3.19182
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)23.9776
Click to view 3D structureSubstance-P receptorP14600Rattus norvegicusPredicted (SEA)5.13805
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)32.4631
Click to view 3D structureGlucagon-1O42143Xenopus laevisPredicted (SEA)14.6357
Click to view 3D structureGastrin/cholecystokinin type B receptorP79266Bos taurusPredicted (SEA)1.63483
Click to view 3D structureDickkopf WNT-signaling pathway inhibitor 1A6I0Z0Rattus norvegicusPredicted (SEA)20.4743
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)33.0859
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)39.4696
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)57.5306
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)37.8347
Click to view 3D structureG-protein coupled receptor MthO97148Drosophila melanogasterPredicted (SEA)18.5281
Prolactin-releasing peptide structureClick to view 3D structureProlactin-releasing peptideP81277HumansPredicted (SEA)17.2047
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)56.9078
Gastrin-releasing peptide receptor structureClick to view 3D structureGastrin-releasing peptide receptorP30550HumansPredicted (SEA)8.48557
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)39.9366
Gastrin/cholecystokinin type B receptor structureClick to view 3D structureGastrin/cholecystokinin type B receptorP32239HumansPredicted (SEA)12.378
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)34.7208
Click to view 3D structureGlucagon receptorP30082Rattus norvegicusPredicted (SEA)28.1036
Thiol:disulfide interchange protein DsbA structureClick to view 3D structureThiol:disulfide interchange protein DsbAP0AEG4Escherichia coli (strain K12)Predicted (SEA)5.0602
Frizzled-7 structureClick to view 3D structureFrizzled-7O75084HumansPredicted (SEA)12.8451
Click to view 3D structureChaperone SurAP0ABZ6Escherichia coli (strain K12)Predicted (SEA)5.99439
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available