G8Q
Summary
| Name: | (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol |
| Formula: | C16 H28 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 328.47 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H28N2O3S/c1-16(2,3)21-15(20)18(4)13(14(19)17-10-11-22)12-8-6-5-7-9-12/h5-9,13-15,17,19-20,22H,10-11H2,1-4H3/t13-,14+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | HBKOTEFSPJNGLF-RRFJBIMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@H](O)OC(C)(C)C)[C@H]([C@@H](O)NCCS)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CN([CH](O)OC(C)(C)C)[CH]([CH](O)NCCS)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)OC(N(C)C(c1ccccc1)C(NCCS)O)O |
