A1I5A
Summary
| Name: | quinaprilat |
| Synonyms: | (3S)-2-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid |
| Formula: | C23 H26 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 410.463 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-2-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1~{H}-isoquinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1 |
| InChIKey | InChI | 1.06 | FLSLEGPOVLMJMN-YSSFQJQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2Cc3ccccc3C[C@H]2C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2Cc3ccccc3C[CH]2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)N1Cc2ccccc2CC1C(=O)O)NC(CCc3ccccc3)C(=O)O |
