Marvin  07171314362D          

 17 17  0  0  1  0            999 V2000
   11.2305   -7.8117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9449   -7.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9449   -6.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6593   -7.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8016   -7.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8016   -8.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0870   -7.3992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3335   -7.7348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814   -7.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1939   -6.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0009   -6.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5160   -7.3992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2305   -8.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9450   -9.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9450   -9.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6595  -10.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2305  -10.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  6  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6  2  0  0  0  0
 12  5  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:74762

> <NAME>
Pro-Glu

> <DEFINITION>
A dipeptide formed from L-proline and L-glutamic acid residues.

> <STAR>
3

> <SYNONYM>
prolylglutamic acid; Prolyl-Glutamate; PE; N-L-Prolyl-L-glutamic acid; L-Pro-L-Glu

> <FORMULA>
C10H16N2O5

> <MASS>
244.24440

> <MONOISOTOPIC_MASS>
244.10592

> <CHARGE>
0

> <SMILES>
OC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O

> <INCHI>
InChI=1S/C10H16N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1

> <INCHIKEY>
QLROSWPKSBORFJ-BQBZGAKWSA-N

> <CAS_REGISTRY_NUMBER>
67644-00-2

> <REAXYS_REGISTRY_NUMBER>
27399

> <CHEMIDPLUS>
67644-00-2

$$$$