5UE
Summary
| Name: | [(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium |
| Formula: | C8 H12 N3 O2 S |
| Formal charge: | 1 |
| Formula weight: | 214.265 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | [(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/p+1/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | PANDLZPWXMPQCI-SCSAIBSYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]([NH3+])C(=O)Nc1scc(n1)C(C)=O |
| SMILES | CACTVS | 3.385 | C[CH]([NH3+])C(=O)Nc1scc(n1)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@H](C(=O)Nc1nc(cs1)C(=O)C)[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(C(=O)Nc1nc(cs1)C(=O)C)[NH3+] |
