MPro Inhibitor 11a

Name: MPro Inhibitor 11a
CAS#: 2103278-86-8
Chemical Formula: C25H32N4O4
Exact Mass: 452.2424
Molecular Weight: 452.56
Elemental Analysis: C, 66.35; H, 7.13; N, 12.38; O, 14.14

Description: MPro inhibitor 11a is an inhibitor of severe acute respiratory syndrome coronavirus 2 main protease. It reduces viral yield in the culture supernatant of SARS-CoV-2-infected Vero E6 cells. MPro inhibitor 11a also reduces viral RNA copy numbers in the same model when used at concentrations ranging from 1.85 to 50 µM.

IUPAC/Chemical Name: N-((S)-3-cyclohexyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)propan-2-yl)-1H-indole-2-carboxamide

InChi Key: HPKJGHVHQWJOOT-ZJOUEHCJSA-N

InChi Code: InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1

SMILES Code: O=C1NCC[C@H]1C[C@@H](C=O)NC([C@H](CC2CCCCC2)NC(C3=CC4=C(N3)C=CC=C4)=O)=O

Appearance: Solid powder