YEK
Summary
| Name: | methyl 1-(methanesulfonyl)-2-methyl-D-prolinate |
| Formula: | C8 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 221.274 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 1-(methanesulfonyl)-2-methyl-D-prolinate |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{R})-2-methyl-1-methylsulfonyl-pyrrolidine-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(C)(=O)N1CCCC1(C)C(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | APDJGJFQSBOQHM-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@]1(C)CCCN1[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)[C]1(C)CCCN1[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(CCCN1S(=O)(=O)C)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCCN1S(=O)(=O)C)C(=O)OC |
