Identifiers & Physical Properties
| CAS No. | 41733-27-1 |
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| Molecular formula | C42H66N12O12 |
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| Average molar mass | 931 g/mol |
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| Monoisotopic mass | 930.49231559 g/mol |
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| SMILES | C=C(C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C=O |
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| InChIKey | WWEOVNXEIMNLNE-DIXWMBMLSA-N |
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| PubChem CID | 191069 |
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Chemical & Physical Properties
| XLogP | -2.1 |
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| Topological polar surface area | 337 |
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| Hydrogen bond donors | 9 |
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| Hydrogen bond acceptors | 13 |
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| Rotatable bonds | 23 |
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| Heavy atoms | 66 |
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| Formal charge | 0 |
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| Complexity | 1,880 |
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