JJT
Summary
| Name: | (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid |
| Formula: | C12 H20 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 268.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H20N4O3/c13-8-1-2-10(16(7-8)12(18)19)11(17)15-9-3-5-14-6-4-9/h9-10,13-14H,1-7H2,(H,15,17)(H,18,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ANYQJLWLEZXFBO-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)N1CC(=N)CC[C@H]1C(=O)NC2CCNCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(=N)CN(C1C(=O)NC2CCNCC2)C(=O)O |
