Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : G63    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H14N2O3/c7-3-1-8-4(2-9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6-/m1/s1
2 InChIKey InChI 1.03 GFTGLZPGRKFGDU-KVTDHHQDSA-N
3 SMILES CACTVS 3.385 N[CH]1CN[CH](CO)[CH](O)[CH]1O
4 SMILES OpenEye OEToolkits 2.0.6 C1C(C(C(C(N1)CO)O)O)N
5 Canonical SMILES CACTVS 3.385 N[C@@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
6 Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)N