SSC
Summary
| Name: | (2S,5S)-5-CARBOXYMETHYLPROLINE |
| Formula: | C7 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 173.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S)-5-(carboxymethyl)-L-proline |
| OpenEye OEToolkits | 1.5.0 | (2S,5S)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC1NC(C(=O)O)CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C[C@@H]1CC[C@H](N1)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C[CH]1CC[CH](N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(NC1CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | LIZWYFXJOOUDNV-WHFBIAKZSA-N |
