AP3
Summary
| Name: | 2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID |
| Formula: | C11 H19 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 277.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,4S)-2-[(1S)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4S)-2-[(2S)-1,3-dihydroxy-3-methyl-1-oxo-butan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C(O)(C)C)C1SC(C(C(=O)O)N1)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(O)[C@H]([C@@H]1N[C@@H](C(O)=O)C(C)(C)S1)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)(O)[CH]([CH]1N[CH](C(O)=O)C(C)(C)S1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)C(C)(C)O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(NC(S1)C(C(=O)O)C(C)(C)O)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO5S/c1-10(2,17)5(8(13)14)7-12-6(9(15)16)11(3,4)18-7/h5-7,12,17H,1-4H3,(H,13,14)(H,15,16)/t5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | MAATUKZAHQWKEG-DSYKOEDSSA-N |
