Marvin  05201315212D          

 20 19  0  0  1  0            999 V2000
    9.4467   -8.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4467   -9.2088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321   -7.9715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1611   -7.9715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0177   -8.3839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321   -7.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0177   -6.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3033   -7.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0177   -5.9089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3044  -11.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5886   -7.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5922  -12.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5658   -7.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3003  -10.8717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8777   -8.3890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0208  -12.1053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3279   -8.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5836  -10.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8675   -9.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5740   -9.6388    0.0000 C   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  2  0  0  0  0
  9  7  1  0  0  0  0
 12 10  2  0  0  0  0
 14 10  1  0  0  0  0
 16 10  1  0  0  0  0
 15 11  1  0  0  0  0
 13 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 15  4  1  6  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
> <ID>
CHEBI:73445

> <NAME>
Asp-Arg

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

> <STAR>
3

> <SYNONYM>
L-Asp-L-Arg; DR; D-R

> <IUPAC_NAME>
L-alpha-aspartyl-L-arginine

> <FORMULA>
C10H19N5O5

> <MASS>
289.28840

> <MONOISOTOPIC_MASS>
289.13862

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H19N5O5/c11-5(4-7(16)17)8(18)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1

> <INCHIKEY>
PSZNHSNIGMJYOZ-WDSKDSINSA-N

> <REAXYS_REGISTRY_NUMBER>
8579207

$$$$