TSI
Summary
| Name: | (2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL |
| Formula: | C5 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 119.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R)-1-amino-2-methylbutane-2,3-diol |
| OpenEye OEToolkits | 1.5.0 | (2S,3R)-1-amino-2-methyl-butane-2,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(C)C(O)(C)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)[C@@](C)(O)CN |
| SMILES | CACTVS | 3.341 | C[CH](O)[C](C)(O)CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]([C@](C)(CN)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C)(CN)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13NO2/c1-4(7)5(2,8)3-6/h4,7-8H,3,6H2,1-2H3/t4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | CNLUNMTZBAHKFI-UHNVWZDZSA-N |
