Marvin  09120814412D          

 16 16  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  1  2  1  0  0  0  0
  9  2  2  0  0  0  0
  3 10  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  1  0  0  0
 14  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  2  0  0  0  0
 13  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 16 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <ID>
CHEBI:50603

> <NAME>
N-formyl-L-tyrosine

> <DEFINITION>
An N-formyl amino acid that is L-tyrosine in which one of the hydrogens of the amino group has been replaced by a formyl group.

> <STAR>
3

> <IUPAC_NAME>
N-formyl-L-tyrosine; (2S)-2-(formylamino)-3-(4-hydroxyphenyl)propanoic acid

> <FORMULA>
C10H11NO4

> <MASS>
209.19868

> <MONOISOTOPIC_MASS>
209.06881

> <CHARGE>
0

> <SMILES>
[H]C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

> <INCHI>
InChI=1S/C10H11NO4/c12-6-11-9(10(14)15)5-7-1-3-8(13)4-2-7/h1-4,6,9,13H,5H2,(H,11,12)(H,14,15)/t9-/m0/s1

> <INCHIKEY>
ROUWPHMRHBMAFE-VIFPVBQESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2807720

$$$$