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Melithiazole N

CAT: 0013-GTR19256186-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256186-02Size:10 mg
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Description
Melithiazol N is an antibiotic. It acts as a β-methoxyacrylate (MOA) inhibitor with potent antidrug activity.
CAS Number
248938-54-7
Field of Research
Infectious Disease & Virology
Smiles
CC1 (C2=NC (=CS2) C3=NC (/C=C/[C@@H] ([C@H] (/C (=C\C (OC) =O) /OC) C) OC) =CS3) CO1
Molecular Formula
C20H24N2O5S2
Molecular Weight
436.545
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Melithiazole N
CAS Number248938-54-7
PubChem CID10741591
IUPAC Namemethyl (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2-[2-(2-methyloxiran-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]hepta-2,6-dienoate
Molecular FormulaC20H24N2O5S2
Molecular Weight436.5
XLogP2.4
Topological Polar Surface Area140
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity646
SMILES
C[C@H]([C@H](/C=C/C1=CSC(=N1)C2=CSC(=N2)C3(CO3)C)OC)/C(=C\C(=O)OC)/OC
InChI
InChI=1S/C20H24N2O5S2/c1-12(16(25-4)8-17(23)26-5)15(24-3)7-6-13-9-28-18(21-13)14-10-29-19(22-14)20(2)11-27-20/h6-10,12,15H,11H2,1-5H3/b7-6+,16-8+/t12-,15+,20?/m1/s1
InChIKey
CSHVGXQYZMMSBE-GVICJILPSA-N
Chemical Structure
2D Structure
2D structure of Melithiazole N
CAS: 248938-54-7
CID: 10741591
Formula: C20H24N2O5S2
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass436.11266422
Monoisotopic Mass436.11266422
Topological Polar Surface Area140 Ų
Heavy Atom Count29
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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