Tryptophan
Trp
W
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SMILES
N[C@@]([H])(CC1=CN([H])C2=C1C=CC=C2)C(O)=O
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
InChI
InChI=1/C11H13N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5H2,12H3,(H,14,15)/t9-/m0/s1
AuxInfo=1/1/N:13,14,11,12,5,7,6,8,2,10,3,1,9,4,26/E:(14,15)/it:im/CRV:12.4/rA:27nN4CCOCCCCNCCCCCHHHHHHHHHHHOH/rB:s1;s2;d3;s2;s5;d6;s6;s7;s8s9;d8;d10;s11;s12d13;s9;s2;s5;s5;s7;s11;s12;s13;s14;s1;s1;s3;s1;/rC:1.574,-1.852,-.572;.596,-1.524,.482;0,-2.819,1.053;-.3,-3.739,.263;-.515,-.572,-.023;-.052,.735,-.596;-.137,1.096,-1.897;.566,1.867,.093;.396,2.36,-2.061;.842,2.888,-.868;.923,2.139,1.436;1.441,4.11,-.517;1.524,3.361,1.801;1.784,4.346,.827;.434,2.829,-2.966;1.154,-1.017,1.271;-1.121,-1.081,-.774;-1.196,-.345,.798;-.556,.476,-2.679;.728,1.396,2.196;1.637,4.863,-1.268;1.787,3.544,2.834;2.245,5.282,1.111;1.968,-1.021,-.978;1.109,-2.4,-1.277;-.171,-2.91,2.286;2.307,-2.413,-.173;
Structure files
MOL file
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PDB file
MInChI v0.9
MInChIxe1 C11H13N2O2 c12xh9xl11xl 14xr15xr5xh7 xh6xh13xh10x h4xh2xh1xh3x h8xl7xr10xsh 1xh4xc6xc9xc 13Hxc5H2xc12 H3xcxlHxc14x c15xrxst9xhx sm0xss1
Updated:
27 February 2007
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