Marvin  09131014582D          

 13 12  0  0  1  0            999 V2000
   17.8511   -3.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8511   -2.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1228   -4.1822    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5794   -4.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1228   -5.0063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4137   -3.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6854   -4.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9763   -3.7606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2672   -4.1822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5389   -3.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8298   -4.2014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5389   -2.9364    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.9763   -2.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  6  3  1  0  0  0  0
  3  5  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  8 13  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
M  CHG  1  12   1
M  END
> <ID>
CHEBI:40617

> <NAME>
amino{[(2S,5S)-5-amino-5-carboxypentan-2-yl]amino}methaniminium

> <DEFINITION>
The cation obtained by protonation of the imine nitrogen of (5S)-5-methyl-L-arginine.

> <STAR>
3

> <SYNONYM>
(5S)-5-methyl-L-arginine(1+)

> <IUPAC_NAME>
amino{[(2S,5S)-5-amino-5-carboxypentan-2-yl]amino}methaniminium

> <FORMULA>
C7H17N4O2

> <MASS>
189.23550

> <MONOISOTOPIC_MASS>
189.13460

> <CHARGE>
1

> <SMILES>
C[C@@H](CC[C@H](N)C(O)=O)NC(N)=[NH2+]

> <INCHI>
InChI=1S/C7H16N4O2/c1-4(11-7(9)10)2-3-5(8)6(12)13/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/p+1/t4-,5-/m0/s1

> <INCHIKEY>
AATIXZODJZMQQA-WHFBIAKZSA-O

> <PDBECHEM_ACCESSION>
AGM

$$$$