VO0
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol |
| Formula: | C7 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H16N2O3/c1-9-4(2-8)6(11)7(12)5(9)3-10/h4-7,10-12H,2-3,8H2,1H3/t4-,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.06 | NUCGMCIENZGSKH-GBNDHIKLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H](CN)[C@@H](O)[C@@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.385 | CN1[CH](CN)[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@@H]([C@H]([C@H]([C@H]1CO)O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(C(C(C1CO)O)O)CN |
