EAL
Summary
| Name: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE |
| Synonyms: | ENALAPRILAT INHIBITOR |
| Formula: | C18 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 348.394 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)C)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)N1CCCC1C(=O)O)NC(CCc2ccccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | LZFZMUMEGBBDTC-QEJZJMRPSA-N |
