6-Methyl-DL-tryptophan
  -molcms-05272604502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.0000    0.0000    0.0000 C   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
   -1.5000   -0.8660    0.0000 C   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
   -0.5000    0.8660    0.0000 C   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
    1.0827    1.2024    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
    1.7213   -0.4612    0.0000 C   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
    3.4155   -0.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2076   -1.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -0.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803    0.8259    0.0000 N   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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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  2  0  0  0  0
  9  5  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  2  0  0  0  0
 11 15  1  0  0  0  0
  6 16  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
>  <ProductName>
6-Methyl-DL-tryptophan

>  <CASNumber>
2280-85-5

>  <MolecularFormula>
C12H14N2O2

>  <MDLNo>
MFCD00022772

>  <MolWt>
218.25

>  <BoilingPoint>
447.4��Cat760mmHg

>  <MeltingPoint>
290?��C (dec.)

>  <MolFile>


>  <Smiles>
CC1=CC=C2C(NC=C2CC(C(O)=O)N)=C1

$$$$