Phenylalanine
Phe
F
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SMILES
N[C@](CC1=CC=CC=C1)([H])C(O)=O
Canonical SMILES
NC(Cc1ccccc1)C(=O)O
InChI
InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
AuxInfo=1/1/N:8,7,9,6,10,3,5,2,11,1,12,13/E:(2,3)(4,5)(11,12)/it:im/rA:13nNCCHCCCCCCCOO/rB:s1;s2;N2;s3;d5;s6;d7;s8;s5d9;s2;d11;s11;/rC:-1.4701,-.9343,0;-.7557,-.5218,0;-.7557,.3032,0;-1.4702,-.1093,0;.0412,.5168,0;.7557,.1043,0;1.4702,.5168,0;1.4702,1.3418,0;.7557,1.7543,0;.0412,1.3418,0;-.0441,-1.3434,0;-.0441,-.5218,0;-.7557,-1.7543,0;
Structure files
MOL file
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PDB file
MInChI v0.9
MInChIxe1 C9H11NO2 c10xh8xl9xl1 1xr12xr6xh7x h4xh2xh1xh3x h5xh7xsh1xh5 xc8Hxc6xc10H 2xcxlHxc11xc 12xrxst8xhxs m0xss1
Updated:
9 June 2006
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