X94
Summary
| Name: | PERINDOPRILAT |
| Formula: | C17 H28 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 340.415 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-carboxybutyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.6.1 | (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-pentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCC |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC[C@H](N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | CCC[CH](N[CH](C)C(=O)N1[CH]2CCCC[CH]2C[CH]1C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | ODAIHABQVKJNIY-PEDHHIEDSA-N |
