Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate (CHEM346907)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 16:27:24 UTC | ||||||||
| Update Date | 2026-08-31 16:27:24 UTC | ||||||||
| Accession Number | CHEM346907 | ||||||||
| Identification | |||||||||
| Common Name | Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate has the chemical formula C30H48F6N4O12S2. With an average molecular weight of 834.80 g/mol, Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H48F6N4O12S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 834.261 g/mol | ||||||||
| CAS Registry Number | 255387-46-3 | ||||||||
| IUPAC Name | Methyl (2s)-6,6-dimethoxy-2-[[(2s)-4-[[(3s)-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]-4-[[(2s)-1,6,6-trimethoxy-1-oxohexan-2-yl]amino]butyl]disulfanyl]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]hexanoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC(CCCC(C(=O)OC)NC(=O)C(CCSSCCC(C(=O)NC(CCCC(OC)OC)C(=O)OC)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F)OC | ||||||||
| InChI Identifier | InChI=1S/C30H48F6N4O12S2/c1-47-21(48-2)11-7-9-19(25(43)51-5)37-23(41)17(39-27(45)29(31,32)33)13-15-53-54-16-14-18(40-28(46)30(34,35)36)24(42)38-20(26(44)52-6)10-8-12-22(49-3)50-4/h17-22H,7-16H2,1-6H3,(H,37,41)(H,38,42)(H,39,45)(H,40,46)/t17-,18-,19-,20-/m0/s1 | ||||||||
| InChI Key | ADMOWLPXLZXMOA-MUGJNUQGSA-N | ||||||||
| 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 | ||||||||
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| 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 | ||||||||
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| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
