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β-Lactamase-IN-6

CAT: 0931-T39865Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39865Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2326468-84-0
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
β-Lactamase-IN-6 is a β-lactamase inhibitor with high antibacterial activity.
Smiles
[H][C@@]12C[N@@](C(=O)N1O[C@H](F)C(=O)OC1CCCCC1)[C@@]([H])(CC2)S(C)=O |TLB:23:19:2:4.6,7:6:19.21.22:2|
Molecular Formula
C15H23FN2O5S
Molecular Weight
362.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

beta-Lactamase-IN-6
CAS Number2326468-84-0
PubChem CID162640611
IUPAC Namecyclohexyl (2R)-2-fluoro-2-[[(2R,5R)-2-[(R)-methylsulfinyl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl]oxy]acetate
Molecular FormulaC15H23FN2O5S
Molecular Weight362.4
XLogP1.5
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity528
SMILES
C[S@@](=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O[C@@H](C(=O)OC3CCCCC3)F
InChI
InChI=1S/C15H23FN2O5S/c1-24(21)12-8-7-10-9-17(12)15(20)18(10)23-13(16)14(19)22-11-5-3-2-4-6-11/h10-13H,2-9H2,1H3/t10-,12-,13+,24-/m1/s1
InChIKey
USWNHACQHYTNKS-RGOPNGEDSA-N
Chemical Structure
2D Structure
2D structure of beta-Lactamase-IN-6
CAS: 2326468-84-0
CID: 162640611
Formula: C15H23FN2O5S
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass362.13117117
Monoisotopic Mass362.13117117
Topological Polar Surface Area95.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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