HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22877458Generated: November 1, 2026
3-Benzyloxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-1-[[2'-[[[(methylamino)carbonyl]amino]methyl][1,1'-biphenyl]-4-yl]methyl]-2-oxo-1H-benzazepin-3(R)-yl]-butanamide
https://huagongshe.com/en/chemical/22877458
Identifiers & Physical Properties
| Molecular formula | C39H43N5O5 |
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| Average molar mass | 661.8 g/mol |
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| SMILES | CNC(=O)NCc1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC(=O)OCc3ccccc3)CCc3ccccc32)cc1 |
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| InChIKey | RGZBJFXERBDJTB-MGBGTMOVSA-N |
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| PubChem CID | 22877458 |
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Chemical & Physical Properties
| XLogP | 4.9 |
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| Topological polar surface area | 129 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 49 |
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| Formal charge | 0 |
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| Complexity | 1,100 |
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![3-Benzyloxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-1-[[2'-[[[(methylamino)carbonyl]amino]methyl][1,1'-biphenyl]-4-yl]methyl]-2-oxo-1H-benzazepin-3(R)-yl]-butanamide molecular structure](/img/chemical/22877458.png)