Marvin  07091316482D          

 14 13  0  0  1  0            999 V2000
    8.5338   -4.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5330   -5.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8198   -4.5539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2489   -4.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1049   -4.9656    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8207   -3.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6777   -4.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6785   -3.7319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9628   -4.9687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3918   -4.9702    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.9620   -5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6749   -6.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6728   -7.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3929   -5.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  1  0  0  0
  6  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
  9  4  1  6  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
M  CHG  2   5   1  10  -1
M  END
> <ID>
CHEBI:74389

> <NAME>
Ala-Leu zwitterion

> <DEFINITION>
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu.

> <STAR>
3

> <SYNONYM>
L-alanyl-L-leucine zwitterion; L-alanyl-L-leucine; L-Ala-L-Leu zwitterion; alanylleucine zwitterion; AL zwitterion

> <IUPAC_NAME>
(2S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-4-methylpentanoate

> <FORMULA>
C9H18N2O3

> <MASS>
202.25080

> <MONOISOTOPIC_MASS>
202.13174

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1

> <INCHIKEY>
RDIKFPRVLJLMER-BQBZGAKWSA-N

> <METACYC_ACCESSION>
CPD-13398

$$$$