159151
  CDK     1105211251

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.6500    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  2 10  2  0  0  0  0 
  3 14  1  0  0  0  0 
  4 14  2  0  0  0  0 
  5  6  1  0  0  0  0 
  7  5  1  6  0  0  0 
  5 10  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  7 11  1  0  0  0  0 
  7 14  1  0  0  0  0 
  8 12  1  0  0  0  0 
  8 15  1  0  0  0  0 
  9 13  2  0  0  0  0 
  9 16  1  0  0  0  0 
 10 18  1  0  0  0  0 
 12 17  2  0  0  0  0 
 13 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:183423

> <NAME>
N-(2,6-Dimethylphenyl)-N-(methoxyacetyl) alanine

> <STAR>
2

> <IUPAC_NAME>
(2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid

> <FORMULA>
C14H19NO4

> <MASS>
265.309

> <MONOISOTOPIC_MASS>
265.13141

> <CHARGE>
0

> <SMILES>
O(CC(=O)N(C1=C(C=CC=C1C)C)[C@@H](C)C(O)=O)C

> <INCHI>
InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1

> <INCHIKEY>
ZRIKZVLHMGYCIR-NSHDSACASA-N

> <CAS_REGISTRY_NUMBER>
87764-37-2

> <CHEMIDPLUS>
87764-37-2

$$$$