4E7
Summary
| Name: | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline |
| Formula: | C15 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 277.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline |
| OpenEye OEToolkits | 1.9.2 | (2S,3R,4S)-3-(3-carboxyphenyl)-4-propyl-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1C(C(C(C1)CCC)c2cc(ccc2)C(=O)O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H19NO4/c1-2-4-11-8-16-13(15(19)20)12(11)9-5-3-6-10(7-9)14(17)18/h3,5-7,11-13,16H,2,4,8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13+/m1/s1 |
| InChIKey | InChI | 1.03 | OORLOXOWCACWSS-AGIUHOORSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC[CH]1CN[CH]([CH]1c2cccc(c2)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCC1CNC(C1c2cccc(c2)C(=O)O)C(=O)O |
