O9K
Summary
| Name: | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate |
| Formula: | C13 H20 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 284.375 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O3S/c1-8(2)11(14-4)5-12(18-9(3)17)13-15-10(6-16)7-19-13/h6-8,11-12,14H,5H2,1-4H3/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | QIMGLCHKHZYHQD-VXGBXAGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H](C[C@@H](OC(C)=O)c1scc(C=O)n1)C(C)C |
| SMILES | CACTVS | 3.385 | CN[CH](C[CH](OC(C)=O)c1scc(C=O)n1)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=O)C)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(CC(c1nc(cs1)C=O)OC(=O)C)NC |
