PXH
Summary
| 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 |
| Formula: | C15 H21 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 343.462 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | RTEPAFLPRWPVOF-FVCCEPFGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](C=O)[C@H](O)CCc2sccc2 |
| SMILES | CACTVS | 3.385 | CC1(C)S[CH](N[CH]1C(O)=O)[CH](C=O)[CH](O)CCc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1([C@@H](N[C@H](S1)[C@H](C=O)[C@@H](CCc2cccs2)O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(NC(S1)C(C=O)C(CCc2cccs2)O)C(=O)O)C |
