D9L
Summary
| Name: | 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid |
| Formula: | C8 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 219.258 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO4S/c1-6(10)9-4-5-14-8(13)3-2-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | CFWQREQCJRMMCP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCSC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCCSC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCSC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCSC(=O)CCC(=O)O |
