LIS
Summary
| Name: | (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID |
| Synonyms: | 3-OXIRAN-2YLALANINE |
| Formula: | C5 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 131.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-3-[(2S)-oxiran-2-yl]propanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-[(2S)-oxiran-2-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC1OC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](C[C@H]1CO1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](C[CH]1CO1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](O1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(O1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO3/c6-4(5(7)8)1-3-2-9-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1 |
| InChIKey | InChI | 1.03 | HKPCHCJYQVJLIZ-IMJSIDKUSA-N |
