(2S)-5-azaniumyl-2-acetamidopentanoate
  CDK    2/12/10,15:27

 12 11  0  0  0  0  0  0  0  0999 V2000
    7.7944   -7.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2233   -7.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0799   -8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5089   -8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9377   -8.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5089   -8.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654   -7.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6509   -8.0399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2233   -6.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944   -9.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944  -10.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0799   -8.8649    0.0000 C   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 
 11 10  2  0  0  0  0 
 12 10  1  0  0  0  0 
  6 10  1  0  0  0  0 
M  CHG  1   5  -1
M  CHG  1   8   1
M  END
> <ID>
CHEBI:57805

> <NAME>
N(2)-acetyl-L-ornithine zwitterion

> <DEFINITION>
An amino acid zwitterion of N2-acetyl-L-ornithine arising from migration of a proton from the carboxy group to the ?-amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
N(2)-acetyl-L-ornithine; (2S)-2-acetamido-5-ammoniopentanoate

> <IUPAC_NAME>
(2S)-2-acetamido-5-azaniumylpentanoate

> <FORMULA>
C7H14N2O3

> <MASS>
174.19770

> <MONOISOTOPIC_MASS>
174.10044

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

> <INCHIKEY>
JRLGPAXAGHMNOL-LURJTMIESA-N

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