Saxagliptin
  -molcms-05182620502D

 25 29  0  0  1  0  0  0  0  0999 V2000
   -1.2254    3.3573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0173    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8093    1.4011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4783    0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781   -0.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7870   -0.7960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3089   -0.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782   -0.2077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1044    0.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9703    1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8364    0.9948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7023    1.4950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4356    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1737    2.4228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1833    3.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2322    4.1448    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7017    3.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7629    3.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7597    1.4933    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8998    2.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6253    0.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2331    0.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -0.0052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9701    2.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
 10  3  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
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  1  1  0  0  0
 20 23  1  0  0  0  0
 23 13  1  0  0  0  0
 12 24  1  6  0  0  0
 11 25  2  0  0  0  0
M  END
>  <ProductName>
Saxagliptin

>  <CASNumber>
361442-04-8

>  <MolecularFormula>
C18H25N3O2

>  <MDLNo>
MFCD12756398

>  <MolWt>
315.41

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
N#C[C@@H]1C[C@]2([H])[C@](C2)([H])N1C([C@H]([C@@]34C[C@@H]5C[C@H](C4)C[C@](C5)(O)C3)N)=O

$$$$