Anagliptin
  -molcms-05202623252D

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    5.5788   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2785   -2.3328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7429   -1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2429   -0.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5738    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
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  2 13  1  0  0  0  0
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 15 28  1  0  0  0  0
M  END
>  <ProductName>
Anagliptin

>  <CASNumber>
739366-20-2

>  <MolecularFormula>
C<sub>19</sub>H<sub>25</sub>N<sub>7</sub>O<sub>2</sub>

>  <MDLNo>
MFCD19443729

>  <MolWt>
383.45

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(C1=CN2C(N=C1)=CC(C)=N2)NCC(C)(NCC(N3[C@H](C#N)CCC3)=O)C

$$$$
