HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 54057312Generated: October 23, 2026
N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-O-benzyl-D-threonine (S)-alpha-ethylbenzylamide
https://huagongshe.com/en/chemical/54057312
Identifiers & Physical Properties
| Molecular formula | C39H43N3O7 |
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| Average molar mass | 665.8 g/mol |
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| SMILES | CC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)[C@H](C)OCc1ccccc1)c1ccccc1 |
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| InChIKey | LXDQKSZIZDYFDS-FMLONVOMSA-N |
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| PubChem CID | 54057312 |
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Chemical & Physical Properties
| XLogP | 5.9 |
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| Topological polar surface area | 143 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 18 |
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| Heavy atoms | 49 |
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| Formal charge | 0 |
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| Complexity | 1,020 |
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