Leucine
Leu
L
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SMILES
N[C@](CC(C)C)([H])C(O)=O
Canonical SMILES
CC(C)CC(N)C(=O)O
InChI
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
AuxInfo=1/1/N:6,7,3,5,2,8,1,9,10/E:(1,2)(8,9)/it:im/rA:10nNCCHCCCCOO/rB:s1;s2;N2;s3;s5;s5;s2;d8;s8;/rC:-1.1541,-.728,0;-.4397,-.3155,0;-.4397,.5095,0;-1.1541,.097,0;.3572,.723,0;.3572,1.548,0;1.1541,.5095,0;.2719,-1.1372,0;.2719,-.3155,0;-.4397,-1.548,0;
Structure files
MOL file
;
PDB file
MInChI v0.9
MInChIxe1 C6H13NO2 c1xh4xl2xr3x h5xl7xr6xl8x r9xsh4xh5Hxc 3xc7H2xc1xh2 H3xcxlHxc8xc 9xrxst5xhxsm 0xss1
Updated:
9 June 2006
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