Marvin  05141310222D          

 26 28  0  0  1  0            999 V2000
   10.2308   -9.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2308   -9.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5162   -8.6956    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9454   -8.6956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017   -9.1082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5162   -7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017   -7.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017   -6.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0873   -7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -7.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0873   -6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -6.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8708   -9.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6992   -9.0311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2577  -10.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6484  -10.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0316   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2513   -8.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8386   -7.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3363   -8.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3228   -9.6318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6296   -8.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0564   -8.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8901  -10.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9813  -10.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7138  -10.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  1  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 11  8  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
 14 13  1  1  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 14  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  1  6  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 21 16  1  0  0  0  0
 24 16  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
> <ID>
CHEBI:73644

> <NAME>
Phe-Pro-Pro

> <DEFINITION>
A tripeptide composed of L-phenylalanine and two L-proline units joined by peptide linkages.

> <STAR>
3

> <SYNONYM>
L-Phe-L-Pro-L-Pro; FPP; F-P-P

> <IUPAC_NAME>
L-phenylalanyl-L-prolyl-L-proline

> <FORMULA>
C19H25N3O4

> <MASS>
359.41950

> <MONOISOTOPIC_MASS>
359.18451

> <CHARGE>
0

> <SMILES>
N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O

> <INCHI>
InChI=1S/C19H25N3O4/c20-14(12-13-6-2-1-3-7-13)17(23)21-10-4-8-15(21)18(24)22-11-5-9-16(22)19(25)26/h1-3,6-7,14-16H,4-5,8-12,20H2,(H,25,26)/t14-,15-,16-/m0/s1

> <INCHIKEY>
ZJPGOXWRFNKIQL-JYJNAYRXSA-N

> <REAXYS_REGISTRY_NUMBER>
6877483

$$$$