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SARS-CoV-2-IN-10

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Category SARS-CoV
CAS 2722634-95-7
Description SARS-CoV-2 3C-like protease (3CLpro), an enzyme essential for viral replication. SARS-CoV-2-IN-10 may be a potent and nontoxic inhibitor of SARS-CoV-2 3CL protease.
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Product Information

Synonyms SARS-CoV-2-IN-10|HY-145276|CS-0370860
IUPAC Name [(4,4-difluorocyclohexyl)-phenylmethyl] N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
Molecular Weight 521.6
Molecular Formula C27H37F2N3O5
Canonical SMILES CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OC(C2CCC(CC2)(F)F)C3=CC=CC=C3
InChI InChI=1S/C27H37F2N3O5/c1-17(2)14-22(25(35)31-21(16-33)15-20-10-13-30-24(20)34)32-26(36)37-23(18-6-4-3-5-7-18)19-8-11-27(28,29)12-9-19/h3-7,16-17,19-23H,8-15H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t20-,21-,22-,23?/m0/s1
InChIKey QMWZWHYKVZAETM-FDWBJODVSA-N
Purity ≥98% (HPLC)
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 793
Exact Mass 521.27012761
Target SARS-CoV
XLogP3-AA 4

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