S2J
Summary
| Name: | methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate |
| Formula: | C10 H17 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 243.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | RSMBLBWVWNZVOE-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC |
| SMILES | CACTVS | 3.385 | CCNC(=O)N1CCNC(=O)[CH]1CC(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNC(=O)N1CCNC(=O)[C@H]1CC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNC(=O)N1CCNC(=O)C1CC(=O)OC |
