HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86746292Generated: October 26, 2026
1-[3(S)-[[N-(tert.butoxycarbonyl)-L-cysteinyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-2(S)-piperidinecarboxamide
https://huagongshe.com/en/chemical/86746292
Identifiers & Physical Properties
| Molecular formula | C28H46N4O5S |
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| Average molar mass | 550.8 g/mol |
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| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)OC(C)(C)C |
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| InChIKey | SPEBIMHLCIGLPH-CWBXHPNXSA-N |
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| PubChem CID | 86746292 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 121 |
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| Hydrogen bond donors | 5 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 776 |
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