A1JPY
Summary
| Name: | Rentiapril |
| Synonyms: | (2~{R},4~{R})-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid |
| Formula: | C13 H15 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 313.393 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)/t9-,12+/m0/s1 |
| InChIKey | InChI | 1.06 | BSHDUMDXSRLRBI-JOYOIKCWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CS[C@@H](N1C(=O)CCS)c2ccccc2O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CS[CH](N1C(=O)CCS)c2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)[C@@H]2N([C@@H](CS2)C(=O)O)C(=O)CCS)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C2N(C(CS2)C(=O)O)C(=O)CCS)O |
