04D
Summary
| Name: | (2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol |
| Formula: | C9 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 175.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol |
| OpenEye OEToolkits | 1.7.6 | (2R,3R,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(C(O)C(N)CC(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | GUNDRKRTYHTHOS-HRDYMLBCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[C@H](O)[C@H](C)CO |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[CH](O)[CH](C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CO)[C@H]([C@H](CC(C)C)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C(C(C)CO)O)N |
