6VO
Summary
| Name: | (3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol |
| Formula: | C9 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 175.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{S})-4-azanyl-2,6-dimethyl-heptane-2,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H21NO2/c1-6(2)5-7(10)8(11)9(3,4)12/h6-8,11-12H,5,10H2,1-4H3/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.06 | BLMWTYBDSWORQD-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)[C@@H](O)C(C)(C)O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](N)[CH](O)C(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H]([C@H](C(C)(C)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(C(C)(C)O)O)N |
