QUS
Summary
| Name: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID |
| Synonyms: | QUISQUALATE |
| Formula: | C5 H7 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 189.126 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)ON1CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CN1OC(=O)NC1=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CN1OC(=O)NC1=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)N1C(=O)NC(=O)O1 |
| InChI | InChI | 1.03 | InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | ASNFTDCKZKHJSW-REOHCLBHSA-N |
