Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SLA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1
2 InChIKey InChI 1.03 NREVXJAQSWMFJZ-CHIQAWFVSA-N
3 SMILES ACDLabs 12.01 O=CC1(NC(=O)C(C1O)C)C(O)C(C)C
4 SMILES CACTVS 3.385 CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O
5 SMILES OpenEye OEToolkits 1.7.6 CC1C(C(NC1=O)(C=O)C(C(C)C)O)O
6 Canonical SMILES CACTVS 3.385 CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O