X92
Summary
| Name: | RAMIPRILAT |
| Formula: | C21 H28 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 388.457 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3aS,6aS)-1-[(2S)-2-{[(1R)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.6.1 | (2S,3aS,6aS)-1-[(2S)-2-[[(2R)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[d]pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCC12)C)CCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H](N[C@H](CCc1ccccc1)C(O)=O)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(O)=O |
| SMILES | CACTVS | 3.352 | C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C(=O)N1C2CCCC2CC1C(=O)O)NC(CCc3ccccc3)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16+,17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | KEDYTOTWMPBSLG-JFMONLCZSA-N |
