95727-77-8 Purity
96%
If you have any other questions or need other size, please get a quote.
The molecular formula of Azetirelin is C15H20N6O4.
The molecular weight of Azetirelin is 348.36 g/mol.
The IUPAC name of Azetirelin is (2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide.
The InChI of Azetirelin is InChI=1S/C15H20N6O4/c16-13(23)11-2-1-3-21(11)15(25)10(4-8-6-17-7-18-8)20-14(24)9-5-12(22)19-9/h6-7,9-11H,1-5H2,(H2,16,23)(H,17,18)(H,19,22)(H,20,24)/t9-,10-,11-/m0/s1.
The InChIKey of Azetirelin is WBGUMUGCONUXFK-DCAQKATOSA-N.
The Canonical SMILES of Azetirelin is C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CC(=O)N3)C(=O)N.
The Isomeric SMILES of Azetirelin is C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)N3)C(=O)N.
The CAS number of Azetirelin is 95729-65-0.
The UNII of Azetirelin is 70J5AWG54Q.
Azetirelin has 4 hydrogen bond donor counts.