PRD_000560
Summary
| Name: | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE |
| Synonyms: | LISINOPRIL |
| Formula: | C21 H31 N3 O5 |
| Formal charge: | 0 |
| Fomular weight: | 405.488 |
| Component type: | NON-POLYMER |
| Polymer sequences: | CLT, LYS, PRO |
| Non-polymer components: | |
| BIRD class: | Enzyme Inhibitor |
| Represented as: | single molecule |
| Families: | FAM_001005 |
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenyl-butan-2-yl]amino]hexanoyl]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)CCCCN)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O |
| SMILES | CACTVS | 3.341 | NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | RLAWWYSOJDYHDC-BZSNNMDCSA-N |
