H6B
Summary
| Name: | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid |
| Formula: | C8 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 203.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO5/c1-9-3-2(8(13)14)5(10)7(12)6(11)4(3)9/h2-7,10-12H,1H3,(H,13,14)/t2-,3-,4-,5-,6+,7+,9+/m1/s1 |
| InChIKey | InChI | 1.03 | UUIBNQLYUYNUOZ-FKAYCGLJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H]([C@@H]12)C(O)=O |
| SMILES | CACTVS | 3.385 | CN1[CH]2[CH](O)[CH](O)[CH](O)[CH]([CH]12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C2C1C(C(C(C2C(=O)O)O)O)O |
