Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : TA1

Encoding of molecule in descriptor string

Name

Canonical SMILES

Program

OpenEye OEToolkits

Version

1.5.0

Name

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C