(4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1h-imidazol-4-yl)propanoyl]amino]-2,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2s)-1-[[(3s,6r,18s)-18-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s,3s)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-3,6-bis(2-amino-2-oxoethyl)-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CED0261003)

Record Information
Version1.0
Creation Date2026-08-29 04:50:30 UTC
Update Date2026-08-29 04:50:30 UTC
Accession NumberCHEM305912
Identification
Common Name(4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1h-imidazol-4-yl)propanoyl]amino]-2,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2s)-1-[[(3s,6r,18s)-18-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s,3s)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-3,6-bis(2-amino-2-oxoethyl)-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
ClassSmall Molecule
Description
The compound (4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1h-imidazol-4-yl)propanoyl]amino]-2,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2s)-1-[[(3s,6r,18s)-18-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s,3s)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-3,6-bis(2-amino-2-oxoethyl)-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has the chemical formula C183H305N47O55. With an average molecular weight of 4,044 g/mol, (4s)-4-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1h-imidazol-4-yl)propanoyl]amino]-2,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2s)-1-[[(3s,6r,18s)-18-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s,3s)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-3,6-bis(2-amino-2-oxoethyl)-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC183H305N47O55
Average Molecular MassNot Available
Monoisotopic Mass4041.251 g/mol
CAS Registry Number210473-65-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCC(C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)CC(=O)N)CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C
InChI IdentifierInChI=1S/C183H305N47O55/c1-26-30-47-106(201-151(256)107(48-34-39-70-184)202-155(260)112(53-44-75-196-181(192)193)207-169(274)125(80-96(13)14)225-179(284)182(24,87-97(15)16)229-175(280)127(82-105-89-194-91-197-105)220-170(275)126(81-104-45-32-31-33-46-104)219-174(279)132(90-231)224-168(273)124(79-95(11)12)218-173(278)130(85-143(249)250)199-103(23)232)163(268)226-146(100(20)28-3)178(283)214-120(61-69-142(247)248)164(269)227-147(101(21)29-4)177(282)213-119(60-68-141(245)246)161(266)205-108(49-35-40-71-185)152(257)208-113(54-62-133(188)233)157(262)212-117(58-66-139(241)242)159(264)204-109(50-36-41-72-186)153(258)210-116(57-65-138(239)240)158(263)203-110(51-37-42-73-187)154(259)211-118(59-67-140(243)244)160(265)209-115(56-64-137(237)238)150(255)198-102(22)149(254)200-114-55-63-136(236)195-74-43-38-52-111(206-171(276)128(83-134(189)234)222-172(277)129(84-135(190)235)221-162(114)267)156(261)215-121(76-92(5)6)165(270)216-122(77-93(7)8)166(271)217-123(78-94(9)10)167(272)223-131(86-144(251)252)176(281)230-183(25,88-98(17)18)180(285)228-145(148(191)253)99(19)27-2/h31-33,45-46,89,91-102,106-132,145-147,231H,26-30,34-44,47-88,90,184-187H2,1-25H3,(H2,188,233)(H2,189,234)(H2,190,235)(H2,191,253)(H,194,197)(H,195,236)(H,198,255)(H,199,232)(H,200,254)(H,201,256)(H,202,260)(H,203,263)(H,204,264)(H,205,266)(H,206,276)(H,207,274)(H,208,257)(H,209,265)(H,210,258)(H,211,259)(H,212,262)(H,213,282)(H,214,283)(H,215,261)(H,216,270)(H,217,271)(H,218,278)(H,219,279)(H,220,275)(H,221,267)(H,222,277)(H,223,272)(H,224,273)(H,225,284)(H,226,268)(H,227,269)(H,228,285)(H,229,280)(H,230,281)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H4,192,193,196)/t99-,100-,101-,102-,106-,107-,108-,109-,110-,111-,112-,113-,114?,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127-,128-,129+,130-,131-,132-,145-,146-,147-,182+,183+/m0/s1
InChI KeyBGFHNAZIBICPLD-IXILWOCFSA-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
Corticotropin-releasing factor receptor 1 structureClick to view 3D structureCorticotropin-releasing factor receptor 1P34998HumansPredicted (SEA)0.389246
Click to view 3D structureCorticotropin-releasing factor receptor 2P47866Rattus norvegicusPredicted (SEA)0.0778492
Click to view 3D structureCorticotropin-releasing factor receptor 2Q60748Mus musculusPredicted (SEA)1.16774
Click to view 3D structureCorticotropin-releasing factor receptor 1P35347Mus musculusPredicted (SEA)2.56902
Click to view 3D structureCalcitonin receptorP32214Rattus norvegicusPredicted (SEA)12.5337
Beclin-1 structureClick to view 3D structureBeclin-1Q14457HumansPredicted (SEA)15.5698
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)64.9263
GDNF family receptor alpha-like structureClick to view 3D structureGDNF family receptor alpha-likeQ6UXV0HumansPredicted (SEA)31.1397
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)67.8067
Click to view 3D structureGlucagon-1O42143Xenopus laevisPredicted (SEA)53.2489
Click to view 3D structureNeuropeptide Y receptor type 2Q9ERC0Rattus norvegicusPredicted (SEA)22.9655
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)73.5675
Corticotropin-releasing factor receptor 2 structureClick to view 3D structureCorticotropin-releasing factor receptor 2Q13324HumansPredicted (SEA)0.311397
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)155.154
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)181.934
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)137.326
Glucagon-like peptide 2 receptor structureClick to view 3D structureGlucagon-like peptide 2 receptorO95838HumansPredicted (SEA)58.6205
Click to view 3D structureGlucagon-like peptide 1 receptorF8V479Macaca fascicularisPredicted (SEA)49.045
Melanocortin receptor 4 structureClick to view 3D structureMelanocortin receptor 4P32245HumansPredicted (SEA)108.055
Click to view 3D structureGlucagon-like peptide 1 receptorO35659Mus musculusPredicted (SEA)59.9439
Click to view 3D structureGlucagon-like peptide 2 receptorQ9Z0W0Rattus norvegicusPredicted (SEA)58.9319
Click to view 3D structureAtrial natriuretic peptide receptor 2P46197Bos taurusPredicted (SEA)36.5113
Click to view 3D structureEndothelin receptor type BQ9N0W7Oryctolagus cuniculusPredicted (SEA)15.4141
Appetite-regulating hormone structureClick to view 3D structureAppetite-regulating hormoneQ9UBU3HumansPredicted (SEA)45.931
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)178.586
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available