5-Bromo-Dl-Tryptophan
  -molcms-05182611232D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -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
   -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 Br  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
    0.1691   -1.6092    0.0000 N   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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <ProductName>
5-Bromo-Dl-Tryptophan

>  <CASNumber>
6548-09-0

>  <MolecularFormula>
C11H11N2O2BR

>  <MDLNo>
MFCD00005648

>  <MolWt>
283.12

>  <BoilingPoint>
495.8��C at 760 mmHg

>  <MeltingPoint>
264?��C (dec.) (lit.)

>  <MolFile>


>  <Smiles>
C1=CC2=C(C=C1Br)C(=CN2)CC(C(=O)O)N

$$$$