Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TYR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
2 InChIKey InChI 1.03 OUYCCCASQSFEME-QMMMGPOBSA-N
3 SMILES ACDLabs 10.04 O=C(O)C(N)Cc1ccc(O)cc1
4 SMILES CACTVS 3.341 N[CH](Cc1ccc(O)cc1)C(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1CC(C(=O)O)N)O
6 Canonical SMILES CACTVS 3.341 N[C@@H](Cc1ccc(O)cc1)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C[C@@H](C(=O)O)N)O