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LY 186826

CAT: 0931-T27886-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27886-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126165-79-5
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
LY 186826 is an antibacterial agent with bicyclic pyrazolidinone properties.
Smiles
C(O)(=O)C=1N2N(CC1C(C)=O)CC(NC(C(=NOC)C=3N=C(N)SC3)=O)C2=O
Molecular Formula
C15H16N6O6S
Molecular Weight
408.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LY 186826

structure given in first source

CAS Number126165-79-5
PubChem CID6918048
IUPAC Name6-acetyl-2-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylic acid
Molecular FormulaC15H16N6O6S
Molecular Weight408.4
XLogP-2.9
Topological Polar Surface Area196
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity798
SMILES
CC(=O)C1=C(N2C(=O)C(CN2C1)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O
InChI
InChI=1S/C15H16N6O6S/c1-6(22)7-3-20-4-8(13(24)21(20)11(7)14(25)26)17-12(23)10(19-27-2)9-5-28-15(16)18-9/h5,8H,3-4H2,1-2H3,(H2,16,18)(H,17,23)(H,25,26)/b19-10+
InChIKey
IZZDXJHOVYWBDZ-VXLYETTFSA-N
Chemical Structure
2D Structure
2D structure of LY 186826
CAS: 126165-79-5
CID: 6918048
Formula: C15H16N6O6S
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP3-2.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass408.08520342
Monoisotopic Mass408.08520342
Topological Polar Surface Area196 Ų
Heavy Atom Count28
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-118051LY 186826

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