Marvin  05021316562D          

 18 17  0  0  1  0            999 V2000
    9.9582   -7.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9582   -8.4991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2438   -7.2616    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6728   -7.2616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5293   -7.6741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2438   -6.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5293   -6.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5293   -5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1017   -7.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3872   -8.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3873   -7.6741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1017   -6.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162   -7.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148   -4.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2438   -4.7864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1017   -8.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1015   -9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162   -8.4992    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
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  4  1  6  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <ID>
CHEBI:73503

> <NAME>
Glu-Asp

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

> <STAR>
3

> <SYNONYM>
L-Glu-L-Asp; glutamylaspartic acid; ED; E-D; alpha-L-Glu-L-Asp; alpha-glutamylaspartic acid; alpha-Glu-Asp

> <IUPAC_NAME>
L-alpha-glutamyl- L-aspartic acid

> <FORMULA>
C9H14N2O7

> <MASS>
262.21670

> <MONOISOTOPIC_MASS>
262.08010

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H14N2O7/c10-4(1-2-6(12)13)8(16)11-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/t4-,5-/m0/s1

> <INCHIKEY>
FYYSIASRLDJUNP-WHFBIAKZSA-N

> <CAS_REGISTRY_NUMBER>
3918-84-1

> <REAXYS_REGISTRY_NUMBER>
1715449

> <CHEMIDPLUS>
3918-84-1

$$$$