HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53783607Generated: October 31, 2026
benzyl 3(S)-[5-(1-benzyloxycarbonyl-4-piperidyl)-1(R)-ethoxycarbonylpentyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetate
https://huagongshe.com/en/chemical/53783607
Identifiers & Physical Properties
| Molecular formula | C39H47N3O8 |
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| Average molar mass | 685.8 g/mol |
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| SMILES | CCOC(=O)[C@@H](CCCCC1CCN(C(=O)OCc2ccccc2)CC1)N[C@H]1COc2ccccc2N(CC(=O)OCc2ccccc2)C1=O |
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| InChIKey | DWYRZNBELFQRDD-SAIUNTKASA-N |
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| PubChem CID | 53783607 |
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Chemical & Physical Properties
| XLogP | 6.3 |
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| Topological polar surface area | 124 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 18 |
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| Heavy atoms | 50 |
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| Formal charge | 0 |
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| Complexity | 1,070 |
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![benzyl 3(S)-[5-(1-benzyloxycarbonyl-4-piperidyl)-1(R)-ethoxycarbonylpentyl]amino-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-5-acetate molecular structure](/img/chemical/53783607.png)