L-isoleucine

Synonyms :

• L-ISOLEUCINE
• Ile
• I

Config Rule :

config('L-isoleucine',[
        substituent(aminoacid_L_backbone),
        substituent(methylpropyl),
        linkage(from(aminoacid_L_backbone,car(1)),
                to(methylpropyl,car(1)),
                down,single)]).

%%%% Substituent Config Rules for compound 'L-isoleucine' %%%%

config(aminoacid_L_backbone,[
        left(amino),
        right(hyd),
        top(carboxyl),
        center(car(1))]).

config(methylpropyl,[
        top(car(1,methyl&&hyd)),
        center(methandiyl),
        bottom(methyl(3))]).

Smiles String :

[C@2H]([NH3+])([C](=[O])[O-])[C@2H]([CH3])[C@2H2][CH3]

'L-isoleucine'

Fischer Diagram :

Terminal :

% 'L-isoleucine'

c(1,12,(0,chiral))-[n(1,left)~,h(1,right)~,c(2,up)~,c(3,down)~],
c(2,12,(0,nonchiral))-[o(1,nil)?,o(2,nil)?,c(1,down)~],
c(3,12,(0,chiral))-[c(4,left)~,c(6,right)~,c(1,up)~,h(7,down)~],
c(4,12,(0,nonchiral))-[c(5,left)~,c(3,right)~,h(5,up)~,h(6,down)~],
c(5,12,(0,nonchiral))-[h(11,left)~,c(4,right)~,h(12,up)~,h(13,down)~],
c(6,12,(0,nonchiral))-[c(3,left)~,h(8,right)~,h(10,up)~,h(9,down)~],
h(1,1,(0,nonchiral))-[c(1,left)~],
h(2,1,(0,nonchiral))-[n(1,right)~],
h(3,1,(0,nonchiral))-[n(1,down)~],
h(4,1,(0,nonchiral))-[n(1,up)~],
h(5,1,(0,nonchiral))-[c(4,down)~],
h(6,1,(0,nonchiral))-[c(4,up)~],
h(7,1,(0,nonchiral))-[c(3,up)~],
h(8,1,(0,nonchiral))-[c(6,left)~],
h(9,1,(0,nonchiral))-[c(6,up)~],
h(10,1,(0,nonchiral))-[c(6,down)~],
h(11,1,(0,nonchiral))-[c(5,right)~],
h(12,1,(0,nonchiral))-[c(5,down)~],
h(13,1,(0,nonchiral))-[c(5,up)~],
n(1,14,(1,nonchiral))-[h(2,left)~,c(1,right)~,h(3,up)~,h(4,down)~],
o(1,16,(-5.0E-01,nonchiral))-[c(2,nil)?],
o(2,16,(-5.0E-01,nonchiral))-[c(2,nil)?]

The Terminals for all the Config Rules are in Prolog Definite Clause Grammar (DCG) form.They can be checked in the Manual here.

The compound's PDB file can be seen here.

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