W8A
Summary
| Name: | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid |
| Formula: | C8 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 232.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(2~{S})-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl]sulfanylethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C(N1CCNC1=O)=O)SCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | VUVWCZPJVQECKW-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](SCC(O)=O)C(=O)N1CCNC1=O |
| SMILES | CACTVS | 3.385 | C[CH](SCC(O)=O)C(=O)N1CCNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)N1CCNC1=O)SCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)N1CCNC1=O)SCC(=O)O |
