(2S)-2-azaniumyl-4-methylpentanoate
  CDK    2/12/10,15:26

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  6  4  1  0  0  0  0 
  3  6  1  0  0  0  0 
  8  3  1  0  0  0  0 
  2  8  1  0  0  0  0 
  4  5  2  0  0  0  0 
  6  7  1  1  0  0  0 
  8  9  1  0  0  0  0 
M  CHG  1   1  -1
M  CHG  1   7   1
M  END
> <ID>
CHEBI:57427

> <NAME>
L-leucine zwitterion

> <DEFINITION>
Zwitterionic form of L-leucine.

> <STAR>
3

> <SYNONYM>
leucine zwitterion; L-leucine

> <IUPAC_NAME>
(2S)-2-azaniumyl-4-methylpentanoate

> <FORMULA>
C6H13NO2

> <MASS>
131.17290

> <MONOISOTOPIC_MASS>
131.09463

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1

> <INCHIKEY>
ROHFNLRQFUQHCH-YFKPBYRVSA-N

> <GMELIN_REGISTRY_NUMBER>
363609

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