Marvin  11081212212D          

 17 16  0  0  1  0            999 V2000
    5.1798   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1798   -5.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8854   -3.8586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6024   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3191   -3.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0360   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0360   -5.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7527   -3.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8854   -3.0317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4634   -3.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7527   -5.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4692   -5.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1863   -5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4692   -4.2667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1863   -3.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1863   -3.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9030   -4.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14  8  1  6  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <ID>
CHEBI:68848

> <NAME>
gamma-Glu-Val

> <DEFINITION>
A glutamyl-L-amino acid that is the N-(L-γ-glutamyl) derivative of L-leucine.

> <STAR>
3

> <SYNONYM>
L-gamma-Glu-L-Val; gamma-Glutamylvaline

> <IUPAC_NAME>
L-gamma-glutamyl-L-valine; (2S)-2-amino-5-{[(1S)-1-carboxy-2-methylpropyl]amino}-5-oxopentanoic acid

> <FORMULA>
C10H18N2O5

> <MASS>
246.26030

> <MONOISOTOPIC_MASS>
246.12157

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-7(13)4-3-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,8-/m0/s1

> <INCHIKEY>
AQAKHZVPOOGUCK-XPUUQOCRSA-N

> <REAXYS_REGISTRY_NUMBER>
1714841

> <PUBMED_CITATION>
22770225

$$$$