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Melithiazole C

CAT: 0013-GTR19255893-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255893-02Size:10 mg
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Description
Melithiazol C is an antibiotic and a potent inhibitor of β-methoxyacrylate (MOA) with antifungal properties.
CAS Number
214420-47-0
Field of Research
Infectious Disease & Virology
Smiles
C (\[C@@H] ([C@H] (/C=C/C=1N=C (C (C) =O) SC1) OC) C) (=C\C (OC) =O) /OC
Molecular Formula
C16H21NO5S
Molecular Weight
339.407
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Melithiazole C
CAS Number214420-47-0
PubChem CID10735833
IUPAC Namemethyl (2E,4R,5S,6E)-7-(2-acetyl-1,3-thiazol-4-yl)-3,5-dimethoxy-4-methylhepta-2,6-dienoate
Molecular FormulaC16H21NO5S
Molecular Weight339.4
XLogP2
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity477
SMILES
C[C@H]([C@H](/C=C/C1=CSC(=N1)C(=O)C)OC)/C(=C\C(=O)OC)/OC
InChI
InChI=1S/C16H21NO5S/c1-10(14(21-4)8-15(19)22-5)13(20-3)7-6-12-9-23-16(17-12)11(2)18/h6-10,13H,1-5H3/b7-6+,14-8+/t10-,13+/m1/s1
InChIKey
LTTPICLGJAXUOJ-NSTYSWHMSA-N
Chemical Structure
2D Structure
2D structure of Melithiazole C
CAS: 214420-47-0
CID: 10735833
Formula: C16H21NO5S
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass339.11404394
Monoisotopic Mass339.11404394
Topological Polar Surface Area103 Ų
Heavy Atom Count23
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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