Azetirelin
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
| Molecular Formula | C15H20N6O4 |
|---|---|
| Molecular Weight | 348.36 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 150.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.1546 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 95729-65-0 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CC(=O)N3)C(=O)N |
| InChIKey | WBGUMUGCONUXFK-DCAQKATOSA-N |
📖 Product Overview
Azetirelin (CAS: 95729-65-0) is a chemical compound with molecular formula C15H20N6O4 and molecular weight 348.36 g/mol. Its IUPAC systematic name is (2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide.
WBGUMUGCONUXFK-DCAQKATOSA-N.
SMILES: C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CC(=O)N3)C(=O)N.
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