2-[2-[3-[[(2s)-3-[[(2r)-1-[[(3e,7s,12s,15s,22s)-12-[[1-[[1-(3,5-dimethylphenyl)triazol-4-yl]methyl]-5-fluoroindol-3-yl]methyl]-22-[[(2s,3r)-3-hydroxy-1-[[(2s)-3-(4-methoxyphenyl)-1-[(2s)-2-methyl-2-(2-sulfanylethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-11,14-dioxo-6-oxa-10,13-diazatricyclo[15.3.1.17,10]docosa-1(21),3,17,19-tetraen-15-yl]amino]-1-oxopropan-2-yl]amino]-3-oxo-2-(3-sulfanylpropanoylamino)propyl]amino]-3-oxopropoxy]ethoxy]ethyl-trimethylazanium (CHEM358524)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 11:59:24 UTC | ||||||||
| Update Date | 2026-09-01 11:59:24 UTC | ||||||||
| Accession Number | CHEM358524 | ||||||||
| Identification | |||||||||
| Common Name | 2-[2-[3-[[(2s)-3-[[(2r)-1-[[(3e,7s,12s,15s,22s)-12-[[1-[[1-(3,5-dimethylphenyl)triazol-4-yl]methyl]-5-fluoroindol-3-yl]methyl]-22-[[(2s,3r)-3-hydroxy-1-[[(2s)-3-(4-methoxyphenyl)-1-[(2s)-2-methyl-2-(2-sulfanylethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-11,14-dioxo-6-oxa-10,13-diazatricyclo[15.3.1.17,10]docosa-1(21),3,17,19-tetraen-15-yl]amino]-1-oxopropan-2-yl]amino]-3-oxo-2-(3-sulfanylpropanoylamino)propyl]amino]-3-oxopropoxy]ethoxy]ethyl-trimethylazanium | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  Structure for CHEM358524: 2-[2-[3-[[(2s)-3-[[(2r)-1-[[(3e,7s,12s,15s,22s)-12-[[1-[[1-(3,5-dimethylphenyl)triazol-4-yl]methyl]-5-fluoroindol-3-yl]methyl]-22-[[(2s,3r)-3-hydroxy-1-[[(2s)-3-(4-methoxyphenyl)-1-[(2s)-2-methyl-2-(2-sulfanylethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-11,14-dioxo-6-oxa-10,13-diazatricyclo[15.3.1.17,10]docosa-1(21),3,17,19-tetraen-15-yl]amino]-1-oxopropan-2-yl]amino]-3-oxo-2-(3-sulfanylpropanoylamino)propyl]amino]-3-oxopropoxy]ethoxy]ethyl-trimethylazanium
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| Synonyms | Not Available | ||||||||
| Chemical Formula | C81H109FN15O15S2+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1614.765 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(=CC(=C1)N2C=C(N=N2)CN3C=C(C4=C3C=CC(=C4)F)CC5C(=O)N6CCC(C6C(=O)NC(C(C)O)C(=O)NC(CC7=CC=C(C=C7)OC)C(=O)N8CCCC8(C)C(=O)NCCS)OCC=CCC9=CC(=CC=C9)CC(C(=O)N5)NC(=O)C(C)NC(=O)C(CNC(=O)CCOCCOCC[N+](C)(C)C)NC(=O)CCS)C | ||||||||
| InChI Identifier | InChI=1S/C81H108FN15O15S2/c1-50-38-51(2)40-60(39-50)96-49-59(91-92-96)48-93-47-57(62-45-58(82)19-22-67(62)93)44-65-78(106)94-29-23-68(72(94)77(105)90-71(53(4)98)76(104)89-64(42-55-17-20-61(109-9)21-18-55)79(107)95-28-13-26-81(95,5)80(108)83-27-37-114)112-31-11-10-14-54-15-12-16-56(41-54)43-63(74(102)88-65)87-73(101)52(3)85-75(103)66(86-70(100)25-36-113)46-84-69(99)24-32-110-34-35-111-33-30-97(6,7)8/h10-12,15-22,38-41,45,47,49,52-53,63-66,68,71-72,98H,13-14,23-37,42-44,46,48H2,1-9H3,(H9-,83,84,85,86,87,88,89,90,99,100,101,102,103,104,105,108,113,114)/p+1/b11-10+/t52-,53-,63+,64+,65+,66+,68+,71+,72+,81+/m1/s1 | ||||||||
| InChI Key | WQYKXIAUKXSSIN-ZPWCAMBLSA-O | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
