VLN
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| Formula: | C6 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 162.187 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)pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | NJOZFAFEQVQFJI-KAZBKCHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | NC[CH]1N[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(N1)CO)O)O)N |
