HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22855152Generated: October 29, 2026
3-[2(R)-[[(t-Butoxycarbonylamino)methyl]carbonyloxy]propyl]amino-3-methyl-N-[3,4-dihydro-4-oxo-5-[[2'-[(t-butoxycarbonylamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1,5-benzothiazepin-3(S)-yl]butanamide
https://huagongshe.com/en/chemical/22855152
Identifiers & Physical Properties
| Molecular formula | C43H57N5O8S |
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| Average molar mass | 804 g/mol |
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| Monoisotopic mass | 803.39278497 g/mol |
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| SMILES | C[C@H](CNC(C)(C)CC(=O)N[C@@H]1CSc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1=O)OC(=O)CNC(=O)OC(C)(C)C |
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| InChIKey | BBJOPMXLAXULMN-LHXZUMEBSA-N |
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| PubChem CID | 22855152 |
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Chemical & Physical Properties
| XLogP | 6.3 |
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| Topological polar surface area | 190 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 19 |
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| Heavy atoms | 57 |
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| Formal charge | 0 |
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| Complexity | 1,360 |
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![3-[2(R)-[[(t-Butoxycarbonylamino)methyl]carbonyloxy]propyl]amino-3-methyl-N-[3,4-dihydro-4-oxo-5-[[2'-[(t-butoxycarbonylamino)methyl][1,1'-biphenyl]-4-yl]methyl]-1,5-benzothiazepin-3(S)-yl]butanamide molecular structure](/img/chemical/22855152.png)