V3C
Summary
| Name: | Trans-4-athyl-L-proline |
| Synonyms: | (2S,4R)-4-ethylpyrrolidine-2-carboxylic acid ethyl-L-proline |
| Formula: | C7 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 143.184 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-4-ethylpyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H13NO2/c1-2-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | VQZWJPSIXQCRTF-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1CN[C@@H](C1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH]1CN[CH](C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H]1C[C@H](NC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1CC(NC1)C(=O)O |
