| PDB CCD ID: | PXH |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H21 N O4 S2 |
| InChI: | InChI=1S/C15H21NO4S2/c1-15(2)12(14(19)20)16-13(22-15)10(8-17)11(18)6-5-9-4-3-7-21-9/h3-4,7-8,10-13,16,18H,5-6H2,1-2H3,(H,19,20)/t10-,11-,12+,13-/m1/s1 |
| InChIKey: | RTEPAFLPRWPVOF-FVCCEPFGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C | | CACTVS 3.385 | CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](C=O)[C@H](O)CCc2sccc2 | | CACTVS 3.385 | CC1(C)S[CH](N[CH]1C(O)=O)[CH](C=O)[CH](O)CCc2sccc2 | | OpenEye OEToolkits 2.0.6 | CC1(C(NC(S1)C(C=O)C(CCc2cccs2)O)C(=O)O)C |
|
| Name: | (2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid |
umich.edu