Ketcher 11142314462D 1   1.00000     0.00000     0

 16 16  0     1  0            999 V2000
   14.7874   -9.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7874   -8.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6535  -10.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6535   -8.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5194   -9.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5194   -8.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3854   -8.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2514   -8.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2514   -9.6190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1175   -8.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9835   -8.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1175   -7.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9214  -10.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0554   -9.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0554   -8.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1894  -10.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  2  4  2  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  6     0  0
  8 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  1 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 14 16  1  0     0  0
M  END
> <ID>
CHEBI:228221

> <NAME>
4-(carboxymethyl)-D-phenylalanine

> <DEFINITION>
A 4-(carboxymethyl)phenylalanine that has D-configuration.

> <STAR>
3

> <SYNONYM>
p-carboxymethyl-D-phenylalanine; 4-carboxymethyl-D-phenylalanine; (R)-2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid; (2R)-2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid

> <IUPAC_NAME>
4-(carboxymethyl)-D-phenylalanine

> <FORMULA>
C11H13NO4

> <MASS>
223.228

> <MONOISOTOPIC_MASS>
223.08446

> <CHARGE>
0

> <SMILES>
N[C@H](CC1=CC=C(CC(O)=O)C=C1)C(O)=O

> <INCHI>
InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m1/s1

> <INCHIKEY>
LJHYWUVYIKCPGU-SECBINFHSA-N

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