8VN
Summary
| Name: | (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid |
| Formula: | C7 H8 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 200.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H8N2O5/c10-6(11)4-3-2(1-8-4)14-9-5(3)7(12)13/h2-4,8H,1H2,(H,10,11)(H,12,13)/t2-,3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | JMTZNIDIUDLCMK-HZLVTQRSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1NC[C@@H]2ON=C([C@H]12)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1NC[CH]2ON=C([CH]12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C2C(C(N1)C(=O)O)C(=NO2)C(=O)O |
