Marvin  07041311032D          

 13 12  0  0  1  0            999 V2000
    9.3305   -7.4063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7594   -7.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0448   -6.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0449   -6.9938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7594   -8.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269   -5.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4736   -6.9936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9026   -6.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1880   -7.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9026   -6.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -7.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3266   -4.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6126   -6.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  1  1  1  0  0  0
  3  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
  9  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
> <ID>
CHEBI:74534

> <NAME>
Leu-Gly

> <DEFINITION>
A dipeptide formed from L-leucine and glycine residues.

> <STAR>
3

> <SYNONYM>
N-L-Leucylglycine; LG; leucylglycine; Leucyl-Glycine; L-Leu-Gly

> <IUPAC_NAME>
L-leucylglycine

> <FORMULA>
C8H16N2O3

> <MASS>
188.22420

> <MONOISOTOPIC_MASS>
188.11609

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1

> <INCHIKEY>
LESXFEZIFXFIQR-LURJTMIESA-N

> <CAS_REGISTRY_NUMBER>
686-50-0

> <REAXYS_REGISTRY_NUMBER>
1725452

> <CHEMIDPLUS>
686-50-0

$$$$