Marvin  05301316082D          

 10  9  0  0  1  0            999 V2000
    7.9948   -6.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9948   -7.6616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2803   -6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7093   -6.4241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5657   -6.8366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1385   -6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4238   -7.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4241   -6.8366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1385   -5.5988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8529   -6.8366    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  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  6  0  0  0
M  END
> <ID>
CHEBI:73855

> <NAME>
Gly-Ala

> <DEFINITION>
A dipeptide formed from glycine and L-alanine residues.

> <STAR>
3

> <SYNONYM>
N-Glycylalanine; glycylalanine; Gly-L-Ala; GA

> <IUPAC_NAME>
glycyl-L-alanine

> <FORMULA>
C5H10N2O3

> <MASS>
146.14450

> <MONOISOTOPIC_MASS>
146.06914

> <CHARGE>
0

> <SMILES>
C[C@H](NC(=O)CN)C(O)=O

> <INCHI>
InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1

> <INCHIKEY>
VPZXBVLAVMBEQI-VKHMYHEASA-N

> <CAS_REGISTRY_NUMBER>
3695-73-6

> <REAXYS_REGISTRY_NUMBER>
1724445

> <CHEMIDPLUS>
3695-73-6

$$$$