X8Z
Summary
| Name: | L-CAPTOPRIL |
| Formula: | C9 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 217.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline |
| OpenEye OEToolkits | 1.6.1 | (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1N(C(=O)C(C)CS)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.352 | C[CH](CS)C(=O)N1CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(CS)C(=O)N1CCCC1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
