N-[2-(Indol-3-yl-2,4,5,6,7-d5)acetyl]-L-phenylalanine-15N
  -molcms-05192613592D

 29 31  0  0  1  0  0  0  0  0999 V2000
    1.7213   -0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827    1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487    1.7024    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    0.1691    1.6092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    1.7321    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -1.7321    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.8660    0.0000 C   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
    0.0000   -1.7321    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803    0.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4155   -0.8213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3666   -0.5123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5745    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313    1.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5255    0.7748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1097   -1.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8039   -1.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7550   -1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9629   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2197    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2687    0.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  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
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  2  1  0  0  0  0
 14  6  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 24  2  0  0  0  0
M  ISO  1  18  15
M  END
>  <ProductName>
N-[2-(Indol-3-yl-2,4,5,6,7-d5)acetyl]-L-phenylalanine-15N

>  <CASNumber>
1201012-75-0

>  <MolecularFormula>
C19H18N2O3

>  <MDLNo>


>  <MolWt>
328.38

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
C(C1=C([2H])NC2C([2H])=C([2H])C([2H])=C(C1=2)[2H])C(=O)[15NH][C@H](C(=O)O)CC1C=CC=CC=1

$$$$