N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide5-oxopyrrolidine-2-carboxylicacid
  -molcms-05202615032D

 43 45  0  0  1  0  0  0  0  0999 V2000
    1.5000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    1.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.1962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0622    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5000    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    6.0622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5000    6.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    4.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    4.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    1.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0878    0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000    0.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0823    0.8660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5823    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5605    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6650    1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7514    1.6092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5310    1.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 20  1  0  0  0  0
 13 26  1  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 11 33  2  0  0  0  0
  2 34  1  0  0  0  0
 35 36  2  0  0  0  0
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 38 39  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 38  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
>  <ProductName>
N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide5-oxopyrrolidine-2-carboxylicacid

>  <CASNumber>
192726-06-0

>  <MolecularFormula>
C27H38N4O3.C5H7NO3

>  <MDLNo>


>  <MolWt>
595.73

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CC([C@H](N1CCCNC1=O)C(N[C@H](C[C@H](O)[C@@H](N)CC2=CC=CC=C2)CC3=CC=CC=C3)=O)C.O=C(O)[C@@H]1CCC(N1)=O

$$$$
