Marvin  05031314372D          

 19 18  0  0  1  0            999 V2000
    8.3809   -9.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3809  -10.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6666   -8.8724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0954   -8.8724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520   -9.2848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6666   -8.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520   -7.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9520   -6.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5244   -8.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8099  -10.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8099   -9.2848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5244   -8.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2388   -9.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2376   -6.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6666   -6.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805  -12.5847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807  -11.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0952  -11.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0953  -10.5222    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  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  4  1  6  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
> <ID>
CHEBI:73521

> <NAME>
Glu-Lys

> <DEFINITION>
A dipeptide composed of L-glutamic acid and L-lysine joined by a peptide linkage.

> <STAR>
3

> <SYNONYM>
L-Glu-L-Lys; EK; E-K

> <IUPAC_NAME>
L-alpha-glutamyl-L-lysine

> <FORMULA>
C11H21N3O5

> <MASS>
275.30150

> <MONOISOTOPIC_MASS>
275.14812

> <CHARGE>
0

> <SMILES>
NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O

> <INCHI>
InChI=1S/C11H21N3O5/c12-6-2-1-3-8(11(18)19)14-10(17)7(13)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1

> <INCHIKEY>
BBBXWRGITSUJPB-YUMQZZPRSA-N

> <REAXYS_REGISTRY_NUMBER>
2470443

$$$$