Marvin  11131216362D          

 18 18  0  0  1  0            999 V2000
   10.5054   -9.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5051  -10.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7910   -8.9571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7885   -8.1366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0764   -9.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3621   -8.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2200   -8.9572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9344   -9.3698    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9342  -10.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6486  -10.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3631  -10.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0775  -10.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0774  -11.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3629  -11.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6485  -11.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6489   -8.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3633   -9.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6490   -8.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
> <ID>
CHEBI:71029

> <NAME>
Ser-Phe

> <DEFINITION>
A dipeptide that is the N-(L-seryl) derivative of L-phenylalanine.

> <STAR>
3

> <SYNONYM>
SF; Serinylphenylalanine; L-Ser-L-Phe

> <IUPAC_NAME>
L-seryl-L-phenylalanine; (2S)-2-{[(2S)-2-amino-3-hydroxypropanoyl]amino}-3-phenylpropanoic acid

> <FORMULA>
C12H16N2O4

> <MASS>
252.26640

> <MONOISOTOPIC_MASS>
252.11101

> <CHARGE>
0

> <SMILES>
N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

> <INCHI>
InChI=1S/C12H16N2O4/c13-9(7-15)11(16)14-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1

> <INCHIKEY>
PPQRSMGDOHLTBE-UWVGGRQHSA-N

> <REAXYS_REGISTRY_NUMBER>
2989808

> <PUBMED_CITATION>
22770225

$$$$