HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66855152Generated: October 29, 2026
4-((S)-2-{[5-[2-((S)-2-Benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-(3,4-difluoro-phenyl)-1H-pyrazole-3-carbonyl]-amino}-4-tert-butoxycarbonyl-butyryl)-piperazine-1-carboxylic acid ethyl ester
https://huagongshe.com/en/chemical/66855152
Identifiers & Physical Properties
| Molecular formula | C40H48F2N6O10 |
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| Average molar mass | 810.8 g/mol |
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| Monoisotopic mass | 810.33999807 g/mol |
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| SMILES | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)OCc3ccccc3)n(-c3ccc(F)c(F)c3)n2)CC1 |
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| InChIKey | ZQOKDNAYQWILHZ-CDZUIXILSA-N |
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| PubChem CID | 66855152 |
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Chemical & Physical Properties
| XLogP | 4.2 |
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| Topological polar surface area | 179 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 13 |
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| Rotatable bonds | 18 |
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| Heavy atoms | 58 |
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| Formal charge | 0 |
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| Complexity | 1,440 |
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![4-((S)-2-{[5-[2-((S)-2-Benzyloxycarbonyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-(3,4-difluoro-phenyl)-1H-pyrazole-3-carbonyl]-amino}-4-tert-butoxycarbonyl-butyryl)-piperazine-1-carboxylic acid ethyl ester molecular structure](/img/chemical/66855152.png)