Z59
Summary
| Name: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide |
| Formula: | C19 H22 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 374.454 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c2ccccc2)C(=O)NCc3sccc3 |
| SMILES | CACTVS | 3.352 | O[CH]([CH](O)C(=O)N1CCC[CH]1c2ccccc2)C(=O)NCc3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2CCCN2C(=O)C(C(C(=O)NCc3cccs3)O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H22N2O4S/c22-16(18(24)20-12-14-8-5-11-26-14)17(23)19(25)21-10-4-9-15(21)13-6-2-1-3-7-13/h1-3,5-8,11,15-17,22-23H,4,9-10,12H2,(H,20,24)/t15-,16-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | IJWSOCHVNGQZGZ-BRWVUGGUSA-N |
