GDQ
Summary
| Name: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol |
| Formula: | C7 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 159.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO3/c9-2-3-1-4-5(8-4)7(11)6(3)10/h3-11H,1-2H2/t3-,4+,5+,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | JACJTGDBUDQHPY-VOQCIKJUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1C[C@@H]2N[C@@H]2[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1C[CH]2N[CH]2[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1N2)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C2C1N2)O)O)CO |
