Ketcher 04132309482D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
    5.6123   -7.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4782   -8.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462   -8.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801   -9.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142   -9.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0142   -8.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801   -7.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462   -9.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4782   -9.1810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443   -7.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2103   -8.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443   -6.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1481   -9.6810    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2 10  1  0     0  0
  3  1  1  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
  7  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  8  2  0     0  0
  2  9  1  1     0  0
 11 10  1  0     0  0
 12 10  2  0     0  0
  5 13  1  0     0  0
M  END
> <ID>
CHEBI:44909

> <NAME>
4-fluorophenyl-L-alanine

> <DEFINITION>
A L-phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44905; CHEBI:10625; CHEBI:32490

> <SYNONYM>
S-(-)-p-Fluorophenylalanine; p-Fluoro-L-phenylalanine; L-4-fluorophenylalanine; 4-Fluorophenylalanine; 4-fluoro-L-phenylalanine; (S)-4-Fluorophenylalanine; (2S)-2-amino-3-(4-fluorophenyl)propanoic acid

> <IUPAC_NAME>
4-fluorophenyl-L-alanine

> <FORMULA>
C9H10FNO2

> <MASS>
183.182

> <MONOISOTOPIC_MASS>
183.06956

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

> <INCHIKEY>
XWHHYOYVRVGJJY-QMMMGPOBSA-N

> <CAS_REGISTRY_NUMBER>
1132-68-9

> <REAXYS_REGISTRY_NUMBER>
2416148

> <CHEMIDPLUS>
1132-68-9

> <PDBECHEM_ACCESSION>
PFF

> <PUBMED_CITATION>
14841196; 26017817; 28508109; 29240689; 14454470; 20924622; 3706732

$$$$