OXX
Summary
| Name: | OXALYL-ASPARTYL ANHYDRIDE |
| Formula: | C6 H6 N O7 |
| Formal charge: | -1 |
| Formula weight: | 204.114 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[(3S)-3-amino-3-carboxypropanoyl]oxy}(oxo)acetate (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | 2-[(3S)-3-amino-4-hydroxy-4-oxo-butanoyl]oxy-2-oxo-ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC(=O)CC(N)C(=O)O)C([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(=O)OC(=O)C([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(=O)OC(=O)C([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)C(=O)OC(=O)C(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C6H7NO7/c7-2(4(9)10)1-3(8)14-6(13)5(11)12/h2H,1,7H2,(H,9,10)(H,11,12)/p-1/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | KIMLIGRTULKOOV-REOHCLBHSA-M |
