4-Amino-3-isobutylcarbamoyl-isothiazole-5-carboxylic acid
  -molcms-06132612402D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.0827    1.2024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5827    0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5772    0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9839   -0.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650    1.0409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1215   -1.3849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045    0.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  2  0  0  0  0
  8 16  2  0  0  0  0
 16  1  1  0  0  0  0
M  END
>  <ProductName>
4-Amino-3-isobutylcarbamoyl-isothiazole-5-carboxylic acid

>  <CASNumber>
1112444-90-2

>  <MolecularFormula>
C9H13N3O3S

>  <MDLNo>


>  <MolWt>
243.28

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
S1C(C(O)=O)=C(N)C(C(NCC(C)C)=O)=N1

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