Marvin  05281316252D          

 21 20  0  0  1  0            999 V2000
    9.1625   -7.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4481  -11.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5914   -7.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7336  -11.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3059   -8.1161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4481  -10.5910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8770   -8.1161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1625  -11.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625  -10.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8770   -8.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1625   -9.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5914   -6.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349   -8.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4494   -7.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0204   -7.7036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0204   -6.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7350   -6.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349   -8.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7351   -5.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0206   -5.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4497   -5.2287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  1  1  6  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12  3  2  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15  5  1  1  0  0  0
 16 17  1  0  0  0  0
 18 13  2  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <ID>
CHEBI:73813

> <NAME>
Arg-Gln

> <DEFINITION>
A dipeptide formed from L-arginyl and L-glutamine residues.

> <STAR>
3

> <SYNONYM>
RQ; L-Arg-L-Gln; arginylglutamine; Arginyl-Glutamine

> <IUPAC_NAME>
L-arginyl-L-glutamine

> <FORMULA>
C11H22N6O4

> <MASS>
302.33020

> <MONOISOTOPIC_MASS>
302.17025

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C11H22N6O4/c12-6(2-1-5-16-11(14)15)9(19)17-7(10(20)21)3-4-8(13)18/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)/t6-,7-/m0/s1

> <INCHIKEY>
PMGDADKJMCOXHX-BQBZGAKWSA-N

> <REAXYS_REGISTRY_NUMBER>
1716638

$$$$