Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FT6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
2 InChIKey InChI 1.03 YMEXGEAJNZRQEH-VIFPVBQESA-N
3 SMILES ACDLabs 10.04 O=C(O)C(N)Cc2c1ccc(F)cc1nc2
4 SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2cc(F)ccc12)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)[nH]cc2CC(C(=O)O)N
6 Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N