KAI
Summary
| Name: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE |
| Synonyms: | KAINATE |
| Formula: | C10 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 213.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,4S)-3-(carboxymethyl)-4-(1-methylethenyl)-L-proline |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-yl-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1NCC(\C(=C)C)C1CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=C)[CH]1CN[CH]([CH]1CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=C)C1CNC(C1CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 |
| InChIKey | InChI | 1.03 | VLSMHEGGTFMBBZ-OOZYFLPDSA-N |
