HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68856491Generated: October 30, 2026
N-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-L-valine
https://huagongshe.com/en/chemical/68856491
Identifiers & Physical Properties
| Molecular formula | C37H43N3O7S |
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| Average molar mass | 673.8 g/mol |
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| SMILES | Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)N[C@H](C(=O)O)C(C)C)c2)cc1 |
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| InChIKey | YYJMUADWHXQOBK-BHVANESWSA-N |
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| PubChem CID | 68856491 |
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Chemical & Physical Properties
| XLogP | 6.4 |
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| Topological polar surface area | 143 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 17 |
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| Heavy atoms | 48 |
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| Formal charge | 0 |
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| Complexity | 1,090 |
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![N-[4-(3-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)butanoyl]-L-valine molecular structure](/img/chemical/68856491.png)