Marvin  05101311212D          

 18 17  0  0  1  0            999 V2000
    8.3793   -8.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3793   -8.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6649   -7.6017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0937   -7.6017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9505   -8.0142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6649   -6.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9504   -6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9504   -5.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2359   -6.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5245   -7.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094   -8.0160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5260   -6.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2389   -8.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8067   -8.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2273  -11.3205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2301  -10.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5170  -10.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5198   -9.2556    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 11  4  1  6  0  0  0
 14 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <ID>
CHEBI:73583

> <NAME>
Leu-Lys

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

> <STAR>
3

> <SYNONYM>
LK; L-Leu-L-Lys; L-K

> <IUPAC_NAME>
L-leucyl-L-lysine

> <FORMULA>
C12H25N3O3

> <MASS>
259.34520

> <MONOISOTOPIC_MASS>
259.18959

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C12H25N3O3/c1-8(2)7-9(14)11(16)15-10(12(17)18)5-3-4-6-13/h8-10H,3-7,13-14H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-/m0/s1

> <INCHIKEY>
OTXBNHIUIHNGAO-UWVGGRQHSA-N

> <REAXYS_REGISTRY_NUMBER>
2417845

$$$$