HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69429673Generated: November 4, 2026
(2S,4R)-[(2,5-difluoro-benzyl)-[4-(4-methoxy-benzylsulfanyl)-pyrrolidin-2-ylmethyl]-amino]-acetic acid tert-butyl ester
https://huagongshe.com/en/chemical/69429673
Identifiers & Physical Properties
| Molecular formula | C26H34F2N2O3S |
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| Average molar mass | 492.6 g/mol |
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| Monoisotopic mass | 492.22582045 g/mol |
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| SMILES | COc1ccc(CS[C@H]2CN[C@H](CN(CC(=O)OC(C)(C)C)Cc3cc(F)ccc3F)C2)cc1 |
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| InChIKey | OVGHEJZEUOXYQO-JTHBVZDNSA-N |
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| PubChem CID | 69429673 |
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Chemical & Physical Properties
| XLogP | 4.8 |
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| Topological polar surface area | 76.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 34 |
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| Formal charge | 0 |
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| Complexity | 628 |
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![(2S,4R)-[(2,5-difluoro-benzyl)-[4-(4-methoxy-benzylsulfanyl)-pyrrolidin-2-ylmethyl]-amino]-acetic acid tert-butyl ester molecular structure](/img/chemical/69429673.png)