MPro 13b

Name: MPro 13b
CAS#: 2412965-59-2
Chemical Formula: C31H39N5O7
Exact Mass: 593.2849
Molecular Weight: 593.681
Elemental Analysis: C, 62.72; H, 6.62; N, 11.80; O, 18.86

Description: MPro 13b is a coronavirus Mpro inhibitor. It inhibits SARS-CoV-2 infection of human Calu3 cells.

IUPAC/Chemical Name: tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate

InChi Key: NLVRHQFXQFSBQK-XWGVYQGASA-N

InChi Code: InChI=1S/C31H39N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-24H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-/m0/s1

SMILES Code: CC(OC(NC1=CC=CN([C@@H](CC2CC2)C(N[C@@H](C[C@@H]3CCNC3=O)C(C(NCC4=CC=CC=C4)=O)=O)=O)C1=O)=O)(C)C

Appearance: Solid powder