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PD159206

CAT: 0013-GTR19209741-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209741-03Size:100 mg
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Description
PD-159206 is a small molecule nucleocapsid inhibitor with demonstrated anti-HIV activity. It serves as a valuable research tool for investigating viral replication mechanisms in vitro and is referenced in studies exploring novel antiviral strategies.
CAS Number
171744-42-6
Smiles
S (SC1=C (C (NC (C (CC) C) C (O) =O) =O) C=CC=C1) C2=C (C (NC (C (CC) C) C (O) =O) =O) C=CC=C2
Molecular Formula
C26H32N2O6S2
Molecular Weight
532.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DL-Isoleucine, N,N'-(dithiobis(2,1-phenylenecarbonyl))bis-
CAS Number171744-42-6
PubChem CID465418
IUPAC Name2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid
Molecular FormulaC26H32N2O6S2
Molecular Weight532.7
XLogP5.2
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity705
SMILES
CCC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NC(C(C)CC)C(=O)O
InChI
InChI=1S/C26H32N2O6S2/c1-5-15(3)21(25(31)32)27-23(29)17-11-7-9-13-19(17)35-36-20-14-10-8-12-18(20)24(30)28-22(26(33)34)16(4)6-2/h7-16,21-22H,5-6H2,1-4H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
InChIKey
SUQDXZBTWJQATJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DL-Isoleucine, N,N'-(dithiobis(2,1-phenylenecarbonyl))bis-
CAS: 171744-42-6
CID: 465418
Formula: C26H32N2O6S2
MW: 532.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight532.7
XLogP35.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass532.17017909
Monoisotopic Mass532.17017909
Topological Polar Surface Area183 Ų
Heavy Atom Count36
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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