Cilastatin
7-[(2S)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
Also Known As: Cilastatin|Cilastatina|Cilastatine|Cilastatinum|Cilastatine [French]|Cilastatinum [Latin]|Cilastatina [Spanish]|Cilastatin [INN:BAN]|CTK5E9303|KS-000002JQ|EINECS 279-875-8|MK-791|(Z)-7-[(2S)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
| Molecular Formula | C16H26N2O5S |
|---|---|
| Molecular Weight | 358.15625 g/mol |
| LogP | 1.43 |
| Topological Polar Surface Area | 129.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 358.15625 |
| Heavy Atoms | 24 |
| Complexity | 518.6 |
Chemical Identifiers
| CAS Number | 82009-34-5 |
|---|---|
| SMILES | CC1(C[C@@H]1C(=O)NC(=CCCCCSC[C@H](C(=O)O)N)C(=O)O)C |
Product Overview
Cilastatin (CAS 82009-34-5), with molecular formula C16H26N2O5S and molecular weight 358.15625 g/mol. IUPAC: 7-[(2S)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid.
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