Marvin  05281310232D          

 14 13  0  0  1  0            999 V2000
   12.9181   -4.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2036   -4.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4892   -4.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7747   -4.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0603   -4.5217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3457   -4.1092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314   -4.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9168   -4.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2024   -4.5217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2036   -3.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0603   -5.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7747   -5.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3457   -5.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314   -5.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  7 14  2  0  0  0  0
M  END
> <ID>
CHEBI:73801

> <NAME>
Gly-Glu

> <DEFINITION>
A dipeptide formed from glycyl and L-glutamic acid residues.

> <STAR>
3

> <SYNONYM>
N-Glycylglutamic acid; N-Glycyl-L-glutamic acid; Gly-L-Glu; GE

> <IUPAC_NAME>
glycyl-L-glutamic acid

> <FORMULA>
C7H12N2O5

> <MASS>
204.18060

> <MONOISOTOPIC_MASS>
204.07462

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1

> <INCHIKEY>
IEFJWDNGDZAYNZ-BYPYZUCNSA-N

> <CAS_REGISTRY_NUMBER>
7412-78-4

> <REAXYS_REGISTRY_NUMBER>
1728201

> <CHEMIDPLUS>
7412-78-4

> <METACYC_ACCESSION>
CPD-3569

$$$$