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WS1358A1 disodium

CAT: 0931-T71317-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71317-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117773-39-4
Target
Others
Related Pathways
Others
Bioactivity
WS1358A1 disodium is a potent inhibitor of renal dehydropeptidase.
Smiles
[O-]C(CC(C)C(C([O-])=O)(O)C(NO)=O)=O.[Na+].[Na+]
Molecular Formula
C7H9NNa2O7
Molecular Weight
265.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

WS1358A1 disodium
CAS Number117773-39-4
PubChem CID3088374
IUPAC Namedisodium;2-hydroxy-2-(hydroxycarbamoyl)-3-methylpentanedioate
Molecular FormulaC7H9NNa2O7
Molecular Weight265.13
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity278
SMILES
CC(CC(=O)[O-])C(C(=O)NO)(C(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C7H11NO7.2Na/c1-3(2-4(9)10)7(14,6(12)13)5(11)8-15;;/h3,14-15H,2H2,1H3,(H,8,11)(H,9,10)(H,12,13);;/q;2*+1/p-2
InChIKey
SGIGADVLRLOKIM-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of WS1358A1 disodium
CAS: 117773-39-4
CID: 3088374
Formula: C7H9NNa2O7
MW: 265.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight265.13
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass265.01744019
Monoisotopic Mass265.01744019
Topological Polar Surface Area150 Ų
Heavy Atom Count17
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes