SHI
Summary
| Name: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID |
| Synonyms: | (S)-DES-ME-AMPA |
| Formula: | C6 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 172.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(3-hydroxyisoxazol-4-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(3-hydroxy-1,2-oxazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1conc1O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1conc1O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1conc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(no1)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(no1)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | ZKLGQYGPVBFAQQ-BYPYZUCNSA-N |
