(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(1r,2as,4s,5as,8as,11ar,13s,14as,16s,17as,19s,20as,22s,23as,25s,26as,28s,29as,31r,32as,35as,36r,38as,39s,41as,42s,44as,45s,48r,50as,51s,53as,54s,56as,57s,59as,60s,63s,66s,69s,72s,75s,78s,84s,87r,96s,99s)-22,42,45-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-29a,72,78-tris(2-amino-2-oxoethyl)-14a,75-bis(3-amino-3-oxopropyl)-2a,23a,25,32a,35a,66-hexabenzyl-26a,99-bis[(2s)-butan-2-yl]-17a,41a,59a,69-tetrakis(3-carbamimidamidopropyl)-5a,8a,51,54,63,84-hexakis(2-carboxyethyl)-13,16-bis(carboxymethyl)-20a-[(1s)-1-hydroxyethyl]-60-(hydroxymethyl)-96-[(4-hydroxyphenyl)methyl]-50a-(1h-imidazol-5-ylmethyl)-38a-(1h-indol-3-ylmethyl)-19,28,53a,56a-tetramethyl-57-(2-methylpropyl)-39-(2-methylsulfanylethyl)-1a,3,4a,7a,9,10a,12,13a,15,16a,18,19a,21,22a,24,25a,27,28a,30,31a,34a,37a,38,40a,41,43a,44,47,49a,50,52a,53,55a,56,58a,59,61a,62,65,68,71,74,77,80,83,86,89,92,95,98-pentacontaoxo-33,34,63a,64a,67a,68a-hexathia-a,2,3a,6a,8,9a,11,12a,14,15a,17,18a,20,21a,23,24a,26,27a,29,30a,33a,36a,37,39a,40,42a,43,46,48a,49,51a,52,54a,55,57a,58,60a,61,64,67,70,73,76,79,82,85,88,91,94,97-pentacontazapentacyclo[85.74.4.448,111.04,8.0144,148]nonahexacontahectane-36-carbonyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]butanedioic acid (CED0300451)

Record Information
Version1.0
Creation Date2026-08-31 15:02:43 UTC
Update Date2026-08-31 15:02:43 UTC
Accession NumberCHEM346037
Identification
Common Name(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(1r,2as,4s,5as,8as,11ar,13s,14as,16s,17as,19s,20as,22s,23as,25s,26as,28s,29as,31r,32as,35as,36r,38as,39s,41as,42s,44as,45s,48r,50as,51s,53as,54s,56as,57s,59as,60s,63s,66s,69s,72s,75s,78s,84s,87r,96s,99s)-22,42,45-tris(4-aminobutyl)-31-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-29a,72,78-tris(2-amino-2-oxoethyl)-14a,75-bis(3-amino-3-oxopropyl)-2a,23a,25,32a,35a,66-hexabenzyl-26a,99-bis[(2s)-butan-2-yl]-17a,41a,59a,69-tetrakis(3-carbamimidamidopropyl)-5a,8a,51,54,63,84-hexakis(2-carboxyethyl)-13,16-bis(carboxymethyl)-20a-[(1s)-1-hydroxyethyl]-60-(hydroxymethyl)-96-[(4-hydroxyphenyl)methyl]-50a-(1h-imidazol-5-ylmethyl)-38a-(1h-indol-3-ylmethyl)-19,28,53a,56a-tetramethyl-57-(2-methylpropyl)-39-(2-methylsulfanylethyl)-1a,3,4a,7a,9,10a,12,13a,15,16a,18,19a,21,22a,24,25a,27,28a,30,31a,34a,37a,38,40a,41,43a,44,47,49a,50,52a,53,55a,56,58a,59,61a,62,65,68,71,74,77,80,83,86,89,92,95,98-pentacontaoxo-33,34,63a,64a,67a,68a-hexathia-a,2,3a,6a,8,9a,11,12a,14,15a,17,18a,20,21a,23,24a,26,27a,29,30a,33a,36a,37,39a,40,42a,43,46,48a,49,51a,52,54a,55,57a,58,60a,61,64,67,70,73,76,79,82,85,88,91,94,97-pentacontazapentacyclo[85.74.4.448,111.04,8.0144,148]nonahexacontahectane-36-carbonyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]butanedioic acid
ClassSmall Molecule
Description
This compound has the chemical formula C305H442N88O91S8. With an average molecular weight of 7,054 g/mol, this compound is a heavy molecule. It has been found in or released from one recorded source, which is electrical and electronic equipment, specifically antennas.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC305H442N88O91S8
Average Molecular MassNot Available
Monoisotopic Mass7049.043 g/mol
CAS Registry Number460738-38-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C1C(=O)NC(C(=O)NCC(=O)NCC(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N5CCCC5C(=O)N3)CC(=O)O)CC(=O)O)C)CCCCN)CC6=CC=CC=C6)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CO)NC(=O)C(CC8=CN=CN8)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(CCC(=O)O)N)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)O)CCSC)CCCCN)CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCC(=O)O)CC(=O)N)CCC(=O)N)CC(=O)N)CCCNC(=N)N)CC9=CC=CC=C9)CCC(=O)O)CO)CC(C)C)CCC(=O)O)CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC1=CC=CC=C1)CCC(=O)O)CCC(=O)O)CCC(=O)N)CCCNC(=N)N)C(C)O)CC1=CC=CC=C1)C(C)CC)CC(=O)N)CC1=CC=CC=C1)CC1=CC=CC=C1)CC1=CNC2=CC=CC=C21)CCCNC(=N)N)CC1=CN=CN1)C)C)CCCNC(=N)N)CC1=CC=C(C=C1)O
InChI IdentifierInChI=1S/C305H442N88O91S8/c1-16-152(5)241-295(478)377-195(124-168-80-82-172(398)83-81-168)252(435)334-137-227(404)333-138-228(405)345-214-143-487-491-147-218-291(474)351-179(73-47-107-327-301(315)316)255(438)341-154(7)245(428)339-155(8)249(432)379-210(127-171-136-326-150-338-171)299(482)393-113-53-79-221(393)294(477)361-181(75-49-109-329-303(319)320)260(443)372-203(125-169-134-332-175-69-40-39-68-173(169)175)277(460)370-198(119-163-58-29-20-30-59-163)274(457)369-199(120-164-60-31-21-32-61-164)275(458)375-207(130-226(314)403)284(467)389-242(153(6)17-2)296(479)378-202(123-167-66-37-24-38-67-167)283(466)390-243(159(12)396)297(480)362-182(76-50-110-330-304(321)322)258(441)353-186(86-94-223(311)400)267(450)383-217(290(473)359-188(89-98-234(414)415)263(446)354-189(90-99-235(416)417)265(448)368-201(282(465)388-241)122-166-64-35-23-36-65-166)146-490-489-145-216(384-268(451)191(92-101-237(420)421)355-262(445)187(88-97-233(412)413)357-271(454)194(116-151(3)4)366-285(468)212(141-394)381-266(449)190(91-100-236(418)419)358-273(456)197(118-162-56-27-19-28-57-162)367-259(442)180(74-48-108-328-302(317)318)349-280(463)206(129-225(313)402)374-264(447)185(85-93-222(310)399)356-279(462)205(128-224(312)401)344-229(406)139-335-251(434)184(352-288(214)471)87-96-232(410)411)289(472)350-178(72-43-46-106-308)256(439)347-177(71-42-45-105-307)257(440)360-193(103-115-486-15)270(453)385-219(292(475)391-244(160(13)397)298(481)363-183(77-51-111-331-305(323)324)261(444)380-211(300(483)484)133-240(426)427)148-492-488-144-215(386-276(459)200(121-165-62-33-22-34-63-165)371-286(469)213(142-395)382-278(461)204(126-170-135-325-149-337-170)373-269(452)192(102-114-485-14)346-246(429)156(9)340-250(433)174(309)84-95-231(408)409)287(470)343-158(11)247(430)364-196(117-161-54-25-18-26-55-161)272(455)348-176(70-41-44-104-306)254(437)342-157(10)248(431)365-209(132-239(424)425)281(464)376-208(131-238(422)423)253(436)336-140-230(407)392-112-52-78-220(392)293(476)387-218/h18-40,54-69,80-83,134-136,149-160,174,176-221,241-244,332,394-398H,16-17,41-53,70-79,84-133,137-148,306-309H2,1-15H3,(H2,310,399)(H2,311,400)(H2,312,401)(H2,313,402)(H2,314,403)(H,325,337)(H,326,338)(H,333,404)(H,334,435)(H,335,434)(H,336,436)(H,339,428)(H,340,433)(H,341,438)(H,342,437)(H,343,470)(H,344,406)(H,345,405)(H,346,429)(H,347,439)(H,348,455)(H,349,463)(H,350,472)(H,351,474)(H,352,471)(H,353,441)(H,354,446)(H,355,445)(H,356,462)(H,357,454)(H,358,456)(H,359,473)(H,360,440)(H,361,477)(H,362,480)(H,363,481)(H,364,430)(H,365,431)(H,366,468)(H,367,442)(H,368,448)(H,369,457)(H,370,460)(H,371,469)(H,372,443)(H,373,452)(H,374,447)(H,375,458)(H,376,464)(H,377,478)(H,378,479)(H,379,432)(H,380,444)(H,381,449)(H,382,461)(H,383,450)(H,384,451)(H,385,453)(H,386,459)(H,387,476)(H,388,465)(H,389,467)(H,390,466)(H,391,475)(H,408,409)(H,410,411)(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,483,484)(H4,315,316,327)(H4,317,318,328)(H4,319,320,329)(H4,321,322,330)(H4,323,324,331)/t152-,153-,154-,155-,156-,157-,158-,159-,160-,174-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,241-,242-,243-,244-/m0/s1
InChI KeyVBGWSQKGUZHFPS-VGMMZINCSA-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
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureVoltage-dependent calcium channel alpha-1 subunitO18323Blattella germanicaPredicted (SEA)3.42537
Relaxin-3 receptor 2 structureClick to view 3D structureRelaxin-3 receptor 2Q8TDU9HumansPredicted (SEA)2.64687
Click to view 3D structureSodium channel protein type 9 subunit alphaQ62205Mus musculusPredicted (SEA)1.63483
Click to view 3D structureSodium channel protein type 2 subunit alphaP04775Rattus norvegicusPredicted (SEA)4.43741
Click to view 3D structureEnvelope glycoprotein gp160P19550Human immunodeficiency virus type 1 group M subtype B (isolate SF162)(HIV-1)Predicted (SEA)2.88042
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)7.47353
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)12.8451
Interleukin-11 structureClick to view 3D structureInterleukin-11P20809HumansPredicted (SEA)5.0602
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)8.71911
Click to view 3D structureSodium channel protein type 9 subunit alphaO08562Rattus norvegicusPredicted (SEA)3.50322
Sodium channel protein type 7 subunit alpha structureClick to view 3D structureSodium channel protein type 7 subunit alphaQ01118HumansPredicted (SEA)5.13805
Erythropoietin receptor structureClick to view 3D structureErythropoietin receptorP19235HumansPredicted (SEA)1.47914
Sodium channel protein type 2 subunit alpha structureClick to view 3D structureSodium channel protein type 2 subunit alphaQ99250HumansPredicted (SEA)5.13805
Click to view 3D structurePlacenta growth factorP49764Mus musculusPredicted (SEA)1.47914
Tumor necrosis factor receptor superfamily member 10B structureClick to view 3D structureTumor necrosis factor receptor superfamily member 10BO14763HumansPredicted (SEA)5.68299
Sodium channel protein type 1 subunit alpha structureClick to view 3D structureSodium channel protein type 1 subunit alphaP35498HumansPredicted (SEA)4.20386
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)5.99439
Suppressor of tumorigenicity 14 protein structureClick to view 3D structureSuppressor of tumorigenicity 14 proteinQ9Y5Y6HumansPredicted (SEA)9.73115
Coagulation factor XII structureClick to view 3D structureCoagulation factor XIIP00748HumansPredicted (SEA)5.68299
Click to view 3D structureEndothelin receptor type BQ9N0W7Oryctolagus cuniculusPredicted (SEA)4.51525
Sodium channel protein type 4 subunit alpha structureClick to view 3D structureSodium channel protein type 4 subunit alphaP35499HumansPredicted (SEA)1.94623
Sodium channel protein type 9 subunit alpha structureClick to view 3D structureSodium channel protein type 9 subunit alphaQ15858HumansPredicted (SEA)2.33548
Sodium channel protein type 5 subunit alpha structureClick to view 3D structureSodium channel protein type 5 subunit alphaQ14524HumansPredicted (SEA)2.41333
Sodium channel protein type 8 subunit alpha structureClick to view 3D structureSodium channel protein type 8 subunit alphaQ9UQD0HumansPredicted (SEA)4.12601
Click to view 3D structureAlpha-amylaseP56634Tenebrio molitorPredicted (SEA)0.544945
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available