Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LTM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H14N2O5/c1-3(12)9-5-7(14)6(13)4(2-11)10-8(5)15/h4-7,11,13-14H,2H2,1H3,(H,9,12)(H,10,15)/t4-,5-,6-,7-/m1/s1
2 InChIKey InChI 1.03 DLGBPZFGIMUEIM-DBRKOABJSA-N
3 SMILES ACDLabs 10.04 O=C1NC(CO)C(O)C(O)C1NC(=O)C
4 SMILES CACTVS 3.352 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)NC1=O
5 SMILES OpenEye OEToolkits 1.6.1 CC(=O)NC1C(C(C(NC1=O)CO)O)O
6 Canonical SMILES CACTVS 3.352 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)NC1=O
7 Canonical SMILES OpenEye OEToolkits 1.6.1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O