Ketcher 04192111142D 1   1.00000     0.00000     0

 16 15  0     1  0            999 V2000
   10.2481  -19.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8460  -19.5228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7122  -18.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8460  -16.5228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3819  -14.5228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1140  -17.5228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160  -18.0228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6499  -14.5228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3819  -17.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3819  -16.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9800  -18.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2481  -18.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160  -16.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9800  -19.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160  -15.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8460  -17.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0     0  0
  2 14  1  0     0  0
  3 16  1  0     0  0
  4 16  2  0     0  0
  5 15  2  0     0  0
 11  6  1  6     0  0
  6 12  1  0     0  0
  9  7  1  1     0  0
  8 15  1  0     0  0
  9 10  1  0     0  0
  9 12  1  0     0  0
 10 13  1  0     0  0
 11 14  1  0     0  0
 11 16  1  0     0  0
 13 15  1  0     0  0
M  END
> <ID>
CHEBI:157840

> <NAME>
Gln-Ser

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

> <STAR>
3

> <SYNONYM>
QS dipeptide; QS; Q-S dipeptide; Q-S; L-Gln-L-Ser; H-Gln-Ser-OH; glutaminylserine

> <IUPAC_NAME>
L-glutaminyl-L-serine

> <FORMULA>
C8H15N3O5

> <MASS>
233.224

> <MONOISOTOPIC_MASS>
233.10117

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H15N3O5/c9-4(1-2-6(10)13)7(14)11-5(3-12)8(15)16/h4-5,12H,1-3,9H2,(H2,10,13)(H,11,14)(H,15,16)/t4-,5-/m0/s1

> <INCHIKEY>
UKKNTTCNGZLJEX-WHFBIAKZSA-N

> <CAS_REGISTRY_NUMBER>
5875-40-1

$$$$