SL5
Summary
| Name: | (2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid |
| Formula: | C8 H15 N O5 |
| Formal charge: | 0 |
| Formula weight: | 205.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,4S,5R)-2-(2-hydroxyethyloxymethyl)-5-methyl-1,3-oxazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO4.H2O/c1-3-12-4-6-9-7(8(10)11)5(2)13-6;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H2/p-1/t5-,6+,7+;/m1./s1 |
| InChIKey | InChI | 1.03 | DCKIKIARQLUQCX-NLRFIBDTSA-M |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NC(OC1C)COCCO |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1O[C@@H](COCCO)N[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH]1O[CH](COCCO)N[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@H](N[C@@H](O1)COCCO)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(NC(O1)COCCO)C(=O)O |
