(2S,6S)-2-azaniumyl-6-(3-carboxylatopropanamido)heptanedioate
  CDK    2/12/10,15:27

 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
 11  2  2  0  0  0  0 
 10  3  2  0  0  0  0 
  4  3  1  0  0  0  0 
  4 19  1  1  0  0  0 
  4  5  1  0  0  0  0 
  6  5  1  0  0  0  0 
  7  6  1  0  0  0  0 
  2  8  1  0  0  0  0 
  8  7  1  0  0  0  0 
  8 12  1  6  0  0  0 
  9  3  1  0  0  0  0 
 13 20  2  0  0  0  0 
 14 13  1  0  0  0  0 
 19 13  1  0  0  0  0 
 15 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
 17 16  2  0  0  0  0 
 18 16  1  0  0  0  0 
M  CHG  1   1  -1
M  CHG  1   9  -1
M  CHG  1  12   1
M  CHG  1  18  -1
M  END
> <ID>
CHEBI:58087

> <NAME>
N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate(2-)

> <DEFINITION>
Dianion of N-succinyl-LL-2,6-diaminopimelic acid having anionic carboxy groups and an ionic primary amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
N-succinyl-(2S,6S)-2,6-diaminoheptanedioate; N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate dianion

> <IUPAC_NAME>
(2S,6S)-2-azaniumyl-6-[(3-carboxylatopropanoyl)amino]heptanedioate

> <FORMULA>
C11H16N2O7

> <MASS>
288.25390

> <MONOISOTOPIC_MASS>
288.09685

> <CHARGE>
-2

> <SMILES>
[NH3+][C@@H](CCC[C@H](NC(=O)CCC([O-])=O)C([O-])=O)C([O-])=O

> <INCHI>
InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2/t6-,7-/m0/s1

> <INCHIKEY>
GLXUWZBUPATPBR-BQBZGAKWSA-L

$$$$