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L-708906

CAT: 0931-T24374-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24374-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
251963-74-3
Target
HIV Protease, Others
Related Pathways
Others, Proteases/Proteasome, Microbiology/Virology
Bioactivity
L-708906 is the Human Immunodeficiency Virus Type 1 inhibitor.
Smiles
C(CC(C(O)=O)=O)(=O)C1=CC(OCC2=CC=CC=C2)=CC(OCC3=CC=CC=C3)=C1
Molecular Formula
C24H20O6
Molecular Weight
404.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-708,906

structure in first source

CAS Number251963-74-3
PubChem CID475514
IUPAC Name4-[3,5-bis(phenylmethoxy)phenyl]-2,4-dioxobutanoic acid
Molecular FormulaC24H20O6
Molecular Weight404.4
XLogP4.1
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity546
SMILES
C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(=O)CC(=O)C(=O)O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H20O6/c25-22(14-23(26)24(27)28)19-11-20(29-15-17-7-3-1-4-8-17)13-21(12-19)30-16-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,27,28)
InChIKey
SLRLQBRWUMWEOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L-708,906
CAS: 251963-74-3
CID: 475514
Formula: C24H20O6
MW: 404.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass404.12598835
Monoisotopic Mass404.12598835
Topological Polar Surface Area89.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes