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Olgotrelvir

CAT: 0013-GTR19219102-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219102-02Size:50 mg
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Description
Olgotrelvir is a small molecule antiviral compound for research use. It functions as a SARS-CoV-2 main protease (Mpro) inhibitor and is applied in both in vitro enzymatic assays and in vivo animal studies to investigate coronavirus infection mechanisms.
CAS Number
2763596-71-8
Smiles
C (N[C@H] (C (N[C@@H] (C[C@H]1C (=O) NCC1) C (S (=O) (=O) O) O) =O) CC (C) C) (=O) C2=CC=3C (N2) =CC=CC3
Molecular Formula
C22H30N4O7S
Molecular Weight
494.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Olgotrelvir
CAS Number2763596-71-8
PubChem CID166157331
IUPAC Name(2S)-1-hydroxy-2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Molecular FormulaC22H30N4O7S
Molecular Weight494.6
XLogP0.9
Topological Polar Surface Area186
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity860
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C22H30N4O7S/c1-12(2)9-16(25-21(29)17-10-13-5-3-4-6-15(13)24-17)20(28)26-18(22(30)34(31,32)33)11-14-7-8-23-19(14)27/h3-6,10,12,14,16,18,22,24,30H,7-9,11H2,1-2H3,(H,23,27)(H,25,29)(H,26,28)(H,31,32,33)/t14-,16-,18-,22?/m0/s1
InChIKey
IICZZAVAIPTWCL-HBIMBUPRSA-N
Chemical Structure
2D Structure
2D structure of Olgotrelvir
CAS: 2763596-71-8
CID: 166157331
Formula: C22H30N4O7S
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP30.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass494.18352048
Monoisotopic Mass494.18352048
Topological Polar Surface Area186 Ų
Heavy Atom Count34
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T81616-01Olgotrelvir
HY-156655A-01Olgotrelvir (sodium)
T87067-01Olgotrelvir sodium

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