PRD_002076
Summary
| Name: | Ramiprilat |
| Formula: | C21 H28 N2 O5 |
| Formal charge: | 0 |
| Fomular weight: | 388.457 |
| Component type: | non-polymer |
| Polymer sequences: | CLT, ALA, XBG |
| Non-polymer components: | |
| BIRD class: | Enzyme inhibitor |
| Represented as: | single molecule |
| Compound Details: | Angiotensin converting enzyme (ACE) inhibitor |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{a}~{S},6~{a}~{S})-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-cyclopenta[b]pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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 | 1.06 | KEDYTOTWMPBSLG-HILJTLORSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | 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 | 3.385 | C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | 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 | 2.0.7 | CC(C(=O)N1C2CCCC2CC1C(=O)O)NC(CCc3ccccc3)C(=O)O |
