Ketcher 09301612272D 1   1.00000     0.00000     0

 15 15  0     1  0            999 V2000
   12.3468   -4.8710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4864   -5.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6190   -4.8683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4876   -6.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6190   -3.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583   -3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4864   -3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8978   -3.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3538   -3.8673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4864   -2.3662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304   -3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8978   -4.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1630   -3.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304   -5.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1630   -4.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  2  1  0     0  0
  4  2  2  0     0  0
  5  3  1  1     0  0
  6  5  1  0     0  0
  5  7  1  0     0  0
  8  6  1  0     0  0
  9  7  1  0     0  0
 10  7  2  0     0  0
 11  8  2  0     0  0
 12  8  1  0     0  0
 13 11  1  0     0  0
 14 12  2  0     0  0
 15 13  2  0     0  0
 15 14  1  0     0  0
M  END
> <ID>
CHEBI:133534

> <NAME>
N-formyl-L-phenylalanine

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An N-acyl-L-phenylalanine that is L-phenylalanine in which one of the hydrogens of the amino group has been replaced by a formyl group.

> <STAR>
3

> <SYNONYM>
OHC-Phe-OH; N-formylphenylalanine; N-Formyl-3-phenyl-L-alanine; For-Phe; (2S)-2-formamido-3-phenyl-propanoic acid

> <IUPAC_NAME>
N-formyl-L-phenylalanine

> <FORMULA>
C10H11NO3

> <MASS>
193.200

> <MONOISOTOPIC_MASS>
193.07389

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1

> <INCHIKEY>
NSTPXGARCQOSAU-VIFPVBQESA-N

> <CAS_REGISTRY_NUMBER>
13200-85-6

> <REAXYS_REGISTRY_NUMBER>
2968785

> <CHEMIDPLUS>
13200-85-6

> <PDBECHEM_ACCESSION>
QPH

$$$$