HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 508564Generated: October 30, 2026
(2S)-6-[[(2S)-4-hydroxy-4-oxo-2-(p-tolylsulfonylamino)butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
https://huagongshe.com/en/chemical/508564
Identifiers & Physical Properties
| Molecular formula | C28H39N3O9S2 |
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| Average molar mass | 625.8 g/mol |
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| SMILES | Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 |
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| InChIKey | DLWAIXICLRBUBG-DQEYMECFSA-N |
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| PubChem CID | 508564 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 204 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 42 |
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| Formal charge | 0 |
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| Complexity | 1,100 |
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![(2S)-6-[[(2S)-4-hydroxy-4-oxo-2-(p-tolylsulfonylamino)butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid molecular structure](/img/chemical/508564.png)