S1M
Summary
| Name: | methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate |
| Formula: | C9 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 214.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | XXDJRDKSNTXOKT-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C[C@@H]1N(CCNC1=O)C(C)=O |
| SMILES | CACTVS | 3.385 | COC(=O)C[CH]1N(CCNC1=O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCNC(=O)C1CC(=O)OC |
