Ketcher 08091815302D 1   1.00000     0.00000     0

 19 18  0     1  0            999 V2000
    6.7525   -7.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7525   -8.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867   -7.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6186   -7.0978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0205   -7.5978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867   -6.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0205   -5.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0205   -4.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506   -7.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845   -8.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848   -7.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506   -6.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166   -7.5978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544   -4.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867   -4.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3522  -10.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2195  -10.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3505   -9.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900  -10.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  3  5  1  1     0  0
  6  3  1  0     0  0
  7  6  1  0     0  0
  8  7  1  0     0  0
 11  9  1  0     0  0
 12  9  2  0     0  0
 13  9  1  0     0  0
 11 10  1  0     0  0
 11  4  1  6     0  0
  8 14  2  0     0  0
  8 15  1  0     0  0
 18 16  1  0     0  0
 17 16  2  0     0  0
 19 16  1  0     0  0
 18 10  1  0     0  0
M  END
> <ID>
CHEBI:141435

> <NAME>
Glu-Gln

> <DEFINITION>
A dipeptide obtained by formal condensation of the carboxy group of L-glutamic acid with the amino group of L-glutamine.

> <STAR>
3

> <SYNONYM>
N(2)-L-glutamyl-L-glutamine; N(2)-alpha-L-glutamyl-L-glutamine; L-glutamylglutamine; L-glutamyl-L-glutamine; glutamylglutamine; glutamic acid glutamine dipeptide; glutamate glutamine dipeptide; EQ dipeptide; EQ; E-Q; alpha-L-glutamyl-L-glutamine; alpha-L-Glu-L-Gln; alpha-glutamylglutamine; alpha-Glu-Gln; (2S)-5-amino-2-{[(2S)-2-amino-4-carboxybutanoyl]amino}-5-oxopentanoic acid; (2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanoic acid

> <IUPAC_NAME>
L-alpha-glutamyl-L-glutamine

> <FORMULA>
C10H17N3O6

> <MASS>
275.259

> <MONOISOTOPIC_MASS>
275.11174

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H17N3O6/c11-5(1-4-8(15)16)9(17)13-6(10(18)19)2-3-7(12)14/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1

> <INCHIKEY>
MGHKSHCBDXNTHX-WDSKDSINSA-N

> <REAXYS_REGISTRY_NUMBER>
7113195

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