Mrv0541 01071511392D          

 12 12  0  0  0  0            999 V2000
    7.5510   -7.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9379   -8.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1094   -9.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1532   -8.0435    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8982   -7.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733   -7.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   -8.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858   -8.5284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346   -9.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4426   -9.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7076   -9.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6607   -7.3995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  5  4  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  6  0  0  0
M  END
> <ID>
CHEBI:21560

> <NAME>
N-acetyl-L-proline

> <STAR>
3

> <SYNONYM>
Acetylproline; (2S)-1-acetylpyrrolidine-2-carboxylic acid

> <IUPAC_NAME>
1-acetyl-L-proline

> <FORMULA>
C7H11NO3

> <MASS>
157.16710

> <MONOISOTOPIC_MASS>
157.07389

> <CHARGE>
0

> <SMILES>
CC(=O)N1CCC[C@H]1C(O)=O

> <INCHI>
InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1

> <INCHIKEY>
GNMSLDIYJOSUSW-LURJTMIESA-N

> <CAS_REGISTRY_NUMBER>
68-95-1

> <CHEMIDPLUS>
68-95-1

$$$$