FGU
Summary
| Name: | S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate |
| Formula: | C10 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 232.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{S}-(2-acetamidoethyl) (2~{S})-2-azanyl-4-methyl-pentanethioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H20N2O2S/c1-7(2)6-9(11)10(14)15-5-4-12-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | FGUKBCKKFXHYHQ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)C(=O)SCCNC(C)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)C(=O)SCCNC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)SCCNC(=O)C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)SCCNC(=O)C)N |
