Mol:PR100782

 
  ACD/Labs04270909582D 
 
 13 13  0  0  1  0  0  0  0  0  1 V2000 
    4.7111   -5.1304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5437   -5.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3764   -5.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2090   -5.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0416   -5.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8743   -5.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5437   -6.5725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2090   -6.5725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8743   -6.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7069   -7.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5395   -6.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.5395   -5.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7069   -5.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  2  7  2  0  0  0  0 
  4  8  1  6  0  0  0 
  6  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  6  1  0  0  0  0 
S  SKP  7 
CAS_RN	138165-77-2 
NAME	L-beta-Homophenylalanine 
ID	PR100782 
FORMULA	C10H13NO2 
EXACTMASS	179.094628665 
AVERAGEMASS	179.21576 
SMILES	OC(=O)CC(N)Cc(c1)cccc1 
M  END