Marvin  05031311422D          

 22 22  0  0  1  0            999 V2000
    9.0706   -7.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0706   -8.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3561   -7.2088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7850   -7.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416   -7.6213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3561   -6.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416   -5.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6416   -5.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9271   -4.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3561   -4.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2140   -7.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4996   -8.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4996   -7.6213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2140   -6.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9285   -7.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2140   -8.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6430   -9.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9285   -8.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2140   -9.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6430   -8.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9285  -10.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3574  -10.0964    0.0000 O   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
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  6  0  0  0
 16 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 20 17  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
> <ID>
CHEBI:73513

> <NAME>
Glu-Tyr

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

> <STAR>
3

> <SYNONYM>
L-Glu-L-Tyr; glutamyltyrosine; EY; E-Y; alpha-L-Glu-L-Tyr; alpha-glutamyltyrosine; alpha-Glu-Tyr

> <IUPAC_NAME>
L-alpha-glutamyl-L-tyrosine

> <FORMULA>
C14H18N2O6

> <MASS>
310.30250

> <MONOISOTOPIC_MASS>
310.11649

> <CHARGE>
0

> <SMILES>
N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

> <INCHI>
InChI=1S/C14H18N2O6/c15-10(5-6-12(18)19)13(20)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/t10-,11-/m0/s1

> <INCHIKEY>
YSWHPLCDIMUKFE-QWRGUYRKSA-N

> <REAXYS_REGISTRY_NUMBER>
2672910

$$$$