Mpro inhibitor N3 hemihydrate

• CAT Number: I044504
• Molecular Formula: C35H50N6O9
• Molecular Weight: 698.81
• Purity: ≥95%
• IUPAC Name: benzyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;hydrate
• InChI: InChI=1S/2C35H48N6O8.H2O/c2*1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24;/h2*7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43);1H2/b2*13-12+;/t2*23-,25-,26+,27-,30-;/m00./s1
• InChIKey: FFGRVUOVZDZOBL-UHWYBZBWSA-N
• SMILES: CC1=CC(=NO1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](/C=C/C(=O)OCC2=CC=CC=C2)C[C@H]3C(=O)NCC3)CC(C)C)C(C)C)C.CC1=CC(=NO1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](/C=C/C(=O)OCC2=CC=CC=C2)C[C@H]3C(=O)NCC3)CC(C)C)C(C)C)C.O

Mpro Inhibitor N3 Hemihydrate（Cat No.:I044504）is a covalent peptidomimetic compound designed to target the main protease (Mpro or 3CLpro) of coronaviruses, including SARS-CoV-2. This enzyme is essential for viral replication and polyprotein processing. N3 binds irreversibly to the catalytic site of Mpro, inhibiting its proteolytic activity and thereby blocking viral replication. The hemihydrate form improves the compound’s stability and handling properties. Widely used in structural and antiviral drug discovery research, Mpro Inhibitor N3 serves as a lead compound for the development of therapeutics against COVID-19 and related viral infections.