Products for Research Use Only

GC373

CAT: 0013-GTR19239062-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239062-02Size:50 mg
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Description
GC373 is a potent small-molecule inhibitor of the SARS-CoV-2 main protease (Mpro) with an IC50 of 0.4 μM, effectively blocking viral replication. It is a valuable research tool for in vitro antiviral studies and for investigating coronavirus mechanisms, supporting the development of anti-COVID-19 therapeutics.
CAS Number
1429218-54-1
Field of Research
Infectious Disease & Virology
Smiles
C ([C@H] (NC ([C@@H] (NC (OCC1=CC=CC=C1) =O) CC (C) C) =O) C=O) [C@H]2C (=O) NCC2
Molecular Formula
C21H29N3O5
Molecular Weight
403.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate
CAS Number1429218-54-1
PubChem CID141697527
IUPAC Namebenzyl 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 FormulaC21H29N3O5
Molecular Weight403.5
XLogP1.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity575
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
InChIKey
QYENXTYKACLCGO-BZSNNMDCSA-N
Chemical Structure
2D Structure
2D structure of Benzyl ((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)amino)pentan-2-yl)carbamate
CAS: 1429218-54-1
CID: 141697527
Formula: C21H29N3O5
MW: 403.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight403.5
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass403.21072103
Monoisotopic Mass403.21072103
Topological Polar Surface Area114 Ų
Heavy Atom Count29
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-160832GC373