JIX
Summary
| Name: | (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid |
| Formula: | C7 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 187.15 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{S},4~{R},5~{R},6~{S})-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C1(N)COC2C(C21)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7-/m0/s1 |
| InChIKey | InChI | 1.06 | YASVRZWVUGJELU-NIMDSCNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(CO[C@@H]2[C@H]([C@H]12)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@]([C@H]2[C@@H]([C@H]2O1)C(=O)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C2C(C2O1)C(=O)O)(C(=O)O)N |
