Chemical Components in the PDB

pdbe.org/chem
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PDBeChem : Molecule Descriptor

 Molecule : MTX

Encoding of molecule in descriptor string

Name

Canonical SMILES

Program

OpenEye OEToolkits

Version

1.5.0

Name

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O