HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 508607Generated: October 24, 2026
(2S)-6-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3H-indol-3-yl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
https://huagongshe.com/en/chemical/508607
Identifiers & Physical Properties
| Molecular formula | C33H46N4O7S |
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| Average molar mass | 642.8 g/mol |
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| Monoisotopic mass | 642.30872099 g/mol |
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| SMILES | Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2C=Nc3ccccc32)NC(=O)OC(C)(C)C)C(=O)O)cc1 |
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| InChIKey | LBVZGTWVCHJYTH-UTARDKEYSA-N |
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| PubChem CID | 508607 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 163 |
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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 | 45 |
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| Formal charge | 0 |
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| Complexity | 1,120 |
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![(2S)-6-[[(2S)-2-(tert-butoxycarbonylamino)-3-(3H-indol-3-yl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid molecular structure](/img/chemical/508607.png)