EEL
Summary
| Name: | (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid |
| Formula: | C9 H15 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 249.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | CTDDWEHVCFADKZ-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCCN1C(=O)C(CS)CS |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN1C(=O)C(CS)CS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(N(C1)C(=O)C(CS)CS)C(=O)O |
