02L
Summary
| Name: | N-(2,2-dimethylpropyl)-L-asparagine |
| Synonyms: | N-beta-neopentyl asparagine |
| Formula: | C9 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 202.251 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,2-dimethylpropyl)-L-asparagine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-4-(2,2-dimethylpropylamino)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(C)(C)C)CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O3/c1-9(2,3)5-11-7(12)4-6(10)8(13)14/h6H,4-5,10H2,1-3H3,(H,11,12)(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | KANDDIFOWGGKRK-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)CNC(=O)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)(C)CNC(=O)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)(C)CNC(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)(C)CNC(=O)CC(C(=O)O)N |
