ATX
Summary
| Name: | (2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE |
| Synonyms: | 2-ALANYL-5-TERT-BUTYL-[1,3,4]-OXADIAZOLE |
| Formula: | C9 H15 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 197.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1nnc(o1)C(C)(C)C)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N)C(=O)c1oc(nn1)C(C)(C)C |
| SMILES | CACTVS | 3.341 | C[CH](N)C(=O)c1oc(nn1)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)c1nnc(o1)C(C)(C)C)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | PVDZDTVFUVTTDU-YFKPBYRVSA-N |
