D-phenylalanine

Synonyms :

• D-PHENYLALANINE

Config Rule :

config('D-phenylalanine',[
        substituent(aminoacid_D_backbone),
        substituent(tolulyl),
        linkage(from(aminoacid_D_backbone,car(1)),
                to(tolulyl,car(1)),
                up,single)]).

%%%% Substituent Config Rules for compound 'D-phenylalanine' %%%%

config(aminoacid_D_backbone,[
        center(car(1)),
        left(amino),
        right(hyd),
        bottom(carboxyl)]).

config(tolulyl,[
        substituent(benzyl),
        substituent(methandiyl),
        linkage(from(methandiyl,car(1)),
                to(benzyl,car(1)),
                nil,single)]).

%%%% Substituent Config Rules for compound tolulyl %%%%

config(benzyl,[
        ring([
                car(1)&,
                car(2,hyd)&,
                car(3,hyd)&,
                car(4,hyd)&,
                car(5,hyd)&,
                car(6,hyd)&])]).

Smiles String :

[C@2H]([NH3+])([C@2H2]-[c]1([cH][cH][cH][cH][cH]1))[C](=[O])[O-]

'D-phenylalanine'

Terminal :

% 'D-phenylalanine'

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