(2S)-2-azaniumyl-5-{[(1S)-1-carboxylatoethyl]azaniumyl}pentanoate
  CDK    2/12/10,15:27

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.2301   -4.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6589   -4.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156   -4.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9445   -4.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3734   -4.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9445   -5.6984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8011   -4.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0866   -4.8734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6589   -3.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3464   -4.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5607   -4.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3707   -3.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   -3.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0971   -3.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  6  1  1  0  0  0 
  7  8  1  0  0  0  0 
  9  2  2  0  0  0  0 
 10  8  1  0  0  0  0 
 10 11  1  1  0  0  0 
 13 12  2  0  0  0  0 
 14 12  1  0  0  0  0 
 10 12  1  0  0  0  0 
M  CHG  1   5  -1
M  CHG  1   6   1
M  CHG  1   8   1
M  CHG  1  14  -1
M  END
> <ID>
CHEBI:57889

> <NAME>
N(5)-(L-1-carboxyethyl)-L-ornithine dizwitterion

> <DEFINITION>
Dizwitterionic form of N5-(L-1-carboxyethyl)-L-ornithine having anionic carboxy groups and cationic amino groups; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
N(5)-(1(S)-1-carboxyethyl)-L-ornithine; N(5)-(L-1-carboxyethyl)-L-ornithine zwitterion

> <IUPAC_NAME>
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylatoethyl]azaniumyl}pentanoate

> <FORMULA>
C8H16N2O4

> <MASS>
204.22360

> <MONOISOTOPIC_MASS>
204.11101

> <CHARGE>
0

> <SMILES>
C[C@H]([NH2+]CCC[C@H]([NH3+])C([O-])=O)C([O-])=O

> <INCHI>
InChI=1S/C8H16N2O4/c1-5(7(11)12)10-4-2-3-6(9)8(13)14/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6-/m0/s1

> <INCHIKEY>
DEGCDQUOHKYOQM-WDSKDSINSA-N

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