(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-1-[(2s)-2-[[(2s)-1-[(2s,3r)-2-[[2-[[(2s)-2-[[2-[[(2s,3r)-2-[[(2s)-2-[[(1r,6r,9s,12s,15s,18s,24s,27s,33s,36s,39r,44r,47s,53s,56s,59s,67s,73s,76s)-44-[[(2s)-2-[[(4r,7s,10s,13s,19s,22s,25s,28r)-28-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-10-(2-amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-25-[(1r)-1-hydroxyethyl]-19-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-4-methylpentanoyl]amino]-12,56,73-tris(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-36-[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-18,47,67-tris(2-carboxyethyl)-24,76-bis[4-(2-ethoxyethoxycarbonylamino)butyl]-27,53-bis(hydroxymethyl)-33-(2-methylpropyl)-8,11,14,17,20,23,26,29,32,35,38,45,48,51,54,57,60,62,65,68,71,74,77-tricosaoxo-59-propan-2-yl-3,4,41,42-tetrathia-7,10,13,16,19,22,25,28,31,34,37,46,49,52,55,58,61,63,66,69,72,75,78-tricosazabicyclo[37.22.17]octaheptacontane-6-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid (CED0299261)

Record Information
Version1.0
Creation Date2026-08-31 13:13:05 UTC
Update Date2026-08-31 13:13:05 UTC
Accession NumberCHEM344827
Identification
Common Name(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-1-[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-1-[(2s)-2-[[(2s)-1-[(2s,3r)-2-[[2-[[(2s)-2-[[2-[[(2s,3r)-2-[[(2s)-2-[[(1r,6r,9s,12s,15s,18s,24s,27s,33s,36s,39r,44r,47s,53s,56s,59s,67s,73s,76s)-44-[[(2s)-2-[[(4r,7s,10s,13s,19s,22s,25s,28r)-28-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-10-(2-amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-25-[(1r)-1-hydroxyethyl]-19-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-4-methylpentanoyl]amino]-12,56,73-tris(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-36-[(2s)-butan-2-yl]-15-(3-carbamimidamidopropyl)-18,47,67-tris(2-carboxyethyl)-24,76-bis[4-(2-ethoxyethoxycarbonylamino)butyl]-27,53-bis(hydroxymethyl)-33-(2-methylpropyl)-8,11,14,17,20,23,26,29,32,35,38,45,48,51,54,57,60,62,65,68,71,74,77-tricosaoxo-59-propan-2-yl-3,4,41,42-tetrathia-7,10,13,16,19,22,25,28,31,34,37,46,49,52,55,58,61,63,66,69,72,75,78-tricosazabicyclo[37.22.17]octaheptacontane-6-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
ClassSmall Molecule
Description
This compound has the chemical formula C299H462N84O115S6. With an average molecular weight of 7,266 g/mol, this compound is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC299H462N84O115S6
Average Molecular MassNot Available
Monoisotopic Mass7261.121 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)N)C(=O)N1)CCCCNC(=O)OCCOCC)CC(=O)N)CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC7=CN=CN7)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N9CCCC9C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCNC(=N)N)CCC(=O)O)CCCCNC(=O)OCCOCC)CO)CC(C)C
InChI IdentifierInChI=1S/C299H462N84O115S6/c1-27-142(21)234-289(485)361-171(97-134(5)6)244(440)323-120-216(410)335-188(124-385)273(469)337-154(45-34-36-86-317-298(493)497-95-93-495-29-3)240(436)319-114-210(404)332-161(67-80-221(418)419)250(446)338-156(47-38-88-315-296(310)311)248(444)356-180(106-205(305)399)266(462)343-162(61-74-201(301)395)257(453)367-194(130-502-499-127-191-247(443)326-116-209(403)329-157(64-77-218(412)413)241(437)320-117-213(407)333-179(105-204(304)398)265(461)339-155(46-35-37-87-318-299(494)498-96-94-496-30-4)249(445)366-195(279(475)376-234)131-503-500-128-192(276(472)340-159(66-79-220(416)417)243(439)321-119-215(409)336-189(125-386)274(470)359-183(109-208(308)402)272(468)373-231(139(15)16)287(483)371-191)368-261(457)174(100-137(11)12)352-277(473)193-129-501-504-132-196(370-270(466)186(112-229(434)435)363-291(487)238(146(25)390)378-271(467)177(103-150-54-58-153(393)59-55-150)362-286(482)232(140(17)18)375-284(480)230(309)138(13)14)280(476)379-237(145(24)389)290(486)347-167(71-84-225(426)427)256(452)364-187(123-384)246(442)325-115-211(405)331-160(60-73-200(300)394)251(447)357-181(107-206(306)400)267(463)351-173(99-136(9)10)260(456)369-193)278(474)374-233(141(19)20)288(484)380-236(144(23)388)285(481)327-121-212(406)330-158(65-78-219(414)415)242(438)322-122-217(411)372-239(147(26)391)294(490)383-92-42-51-199(383)283(479)348-169(48-39-89-316-297(312)313)292(488)381-90-40-49-197(381)281(477)345-163(62-75-202(302)396)255(451)365-190(126-387)275(471)355-178(104-151-113-314-133-328-151)264(460)358-182(108-207(307)401)268(464)360-184(110-227(430)431)245(441)324-118-214(408)334-185(111-228(432)433)269(465)354-175(101-148-43-32-31-33-44-148)262(458)344-164(68-81-222(420)421)252(448)342-168(72-85-226(428)429)258(454)377-235(143(22)28-2)293(489)382-91-41-50-198(382)282(478)346-166(70-83-224(424)425)253(449)341-165(69-82-223(422)423)254(450)353-176(102-149-52-56-152(392)57-53-149)263(459)350-172(98-135(7)8)259(455)349-170(295(491)492)63-76-203(303)397/h31-33,43-44,52-59,113,133-147,154-199,230-239,384-393H,27-30,34-42,45-51,60-112,114-132,309H2,1-26H3,(H2,300,394)(H2,301,395)(H2,302,396)(H2,303,397)(H2,304,398)(H2,305,399)(H2,306,400)(H2,307,401)(H2,308,402)(H,314,328)(H,317,493)(H,318,494)(H,319,436)(H,320,437)(H,321,439)(H,322,438)(H,323,440)(H,324,441)(H,325,442)(H,326,443)(H,327,481)(H,329,403)(H,330,406)(H,331,405)(H,332,404)(H,333,407)(H,334,408)(H,335,410)(H,336,409)(H,337,469)(H,338,446)(H,339,461)(H,340,472)(H,341,449)(H,342,448)(H,343,462)(H,344,458)(H,345,477)(H,346,478)(H,347,486)(H,348,479)(H,349,455)(H,350,459)(H,351,463)(H,352,473)(H,353,450)(H,354,465)(H,355,471)(H,356,444)(H,357,447)(H,358,460)(H,359,470)(H,360,464)(H,361,485)(H,362,482)(H,363,487)(H,364,452)(H,365,451)(H,366,445)(H,367,453)(H,368,457)(H,369,456)(H,370,466)(H,371,483)(H,372,411)(H,373,468)(H,374,474)(H,375,480)(H,376,475)(H,377,454)(H,378,467)(H,379,476)(H,380,484)(H,412,413)(H,414,415)(H,416,417)(H,418,419)(H,420,421)(H,422,423)(H,424,425)(H,426,427)(H,428,429)(H,430,431)(H,432,433)(H,434,435)(H,491,492)(H4,310,311,315)(H4,312,313,316)/t142-,143-,144+,145+,146+,147+,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-/m0/s1
InChI KeyMFPRYDMAZLLTGM-IJDGSQHYSA-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 structureCalcitonin receptorP32214Rattus norvegicusPredicted (SEA)2.25763
Sodium channel protein type 4 subunit alpha structureClick to view 3D structureSodium channel protein type 4 subunit alphaP35499HumansPredicted (SEA)7.94062
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)10.9767
Sodium channel protein type 9 subunit alpha structureClick to view 3D structureSodium channel protein type 9 subunit alphaQ15858HumansPredicted (SEA)18.9174
Click to view 3D structureCatenin beta-1Q02248Mus musculusPredicted (SEA)0.389246
Sodium channel protein type 8 subunit alpha structureClick to view 3D structureSodium channel protein type 8 subunit alphaQ9UQD0HumansPredicted (SEA)10.2761
Erythropoietin receptor structureClick to view 3D structureErythropoietin receptorP19235HumansPredicted (SEA)2.02408
Neuropeptide Y receptor type 2 structureClick to view 3D structureNeuropeptide Y receptor type 2P49146HumansPredicted (SEA)45.931
Click to view 3D structureSodium channel protein type 2 subunit alphaP04775Rattus norvegicusPredicted (SEA)7.00643
Click to view 3D structureApical membrane antigen 1Q7KQK5Plasmodium falciparum (isolate 3D7)Predicted (SEA)28.8821
Neuropeptide Y receptor type 1 structureClick to view 3D structureNeuropeptide Y receptor type 1P25929HumansPredicted (SEA)43.8291
Relaxin-3 receptor 2 structureClick to view 3D structureRelaxin-3 receptor 2Q8TDU9HumansPredicted (SEA)7.70707
Click to view 3D structureVoltage-dependent calcium channel alpha-1 subunitO18323Blattella germanicaPredicted (SEA)9.73115
Click to view 3D structureSclerostinQ99P67Rattus norvegicusPredicted (SEA)36.9005
Tumor necrosis factor receptor superfamily member 10B structureClick to view 3D structureTumor necrosis factor receptor superfamily member 10BO14763HumansPredicted (SEA)6.69503
Click to view 3D structureDickkopf WNT-signaling pathway inhibitor 1A6I0Z0Rattus norvegicusPredicted (SEA)38.0683
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)20.0072
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)31.1397
Glucagon-like peptide 1 receptor structureClick to view 3D structureGlucagon-like peptide 1 receptorP43220HumansPredicted (SEA)52.2368
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)20.9414
Click to view 3D structurePlacenta growth factorP49764Mus musculusPredicted (SEA)4.98235
Interleukin-11 structureClick to view 3D structureInterleukin-11P20809HumansPredicted (SEA)12.7673
Beclin-1 structureClick to view 3D structureBeclin-1Q14457HumansPredicted (SEA)13.0787
IgG receptor FcRn large subunit p51 structureClick to view 3D structureIgG receptor FcRn large subunit p51P55899HumansPredicted (SEA)23.744
Prolactin-releasing peptide structureClick to view 3D structureProlactin-releasing peptideP81277HumansPredicted (SEA)43.2063
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available