the goodman group
university of cambridge  


   histidine

Histidine

His

H

Histidine

SMILES
N[C@@H](CC1=CN=CN1)C(O)=O

Canonical SMILES NC(Cc1cnc[nH]1)C(=O)O

InChI
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
AuxInfo=1/1/N:3,5,7,4,2,9,1,6,8,10,11/E:(10,11)/it:im/rA:11nNCCCCNCNCOO/rB:s1;P2;s3;d4;s5;d6;s4s7;s2;d9;s9;/rC:-1.3783,-.8616,0;-.6638,-.4491,0;-.6638,.3759,0;.0507,.7884,0;.7652,.3759,0;1.3783,.9279,0;1.0427,1.6816,0;.2222,1.5954,0;.0478,-1.2708,0;.0478,-.4491,0;-.6638,-1.6816,0; MOL file ; PDB file


MInChI v0.9
MInChIxe1 C6H9N3O2 c7xh5xl6xl10 xr11xr1xh4xh 2xh8xh3xh9xh 4xsh2xh3xc5H xc1xc7H2xcxl Hxc8xc9xrxlH xc10xc11xrxs t5xhxsm0xss1
Updated: 9 June 2006



© Goodman Group, 2005-2017; privacy; last updated October 17, 2017

department of chemistry University of Cambridge