Valine
Val
V
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SMILES
N[C@@](C(O)=O)([H])C(C)C
Canonical SMILES
CC(C)C(N)C(=O)O
InChI
InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
AuxInfo=1/1/N:8,9,3,2,4,1,5,6/E:(1,2)(7,8)/it:im/rA:9nNCCCOOHCC/rB:s1;s2;s2;s4;d4;N2;s3;s3;/rC:-.7953,-.6212,0;-.1541,-.102,0;-.4498,.6251,0;.5604,-.5145,0;1.2748,-.102,0;.5604,-1.3395,0;.4293,.4814,0;-.0373,1.3395,0;-1.2748,.6251,0;
Structure files
MOL file
;
PDB file
MInChI v0.9
MInChIxe1 C5H11NO2 c1xh3xl2xr4x l6xr5xl7xr8x sh3xh4Hxc6H2 xc1xh2H3xcxl Hxc7xc8xrxst 4xhxsm0xss1
Updated:
9 June 2006
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