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PD159206

CAT: 0931-T70246-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70246-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171744-42-6
Target
Others
Related Pathways
Others
Bioactivity
PD-159206 is a nucleocapsid inhibitor. It exhibits good antiviral activity against HIV.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
View on PubChemRaw 3D data
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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