02O
Summary
| Name: | 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-L-alanine |
| Formula: | C9 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 213.234 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-L-alanine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1nc(no1)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O3/c1-9(2,3)8-11-6(15-12-8)4-5(10)7(13)14/h5H,4,10H2,1-3H3,(H,13,14)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | MOCSHHCILAILMH-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1noc(C[C@H](N)C(O)=O)n1 |
| SMILES | CACTVS | 3.370 | CC(C)(C)c1noc(C[CH](N)C(O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)(C)c1nc(on1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)(C)c1nc(on1)CC(C(=O)O)N |
