7CC
Summary
| Name: | N,N-diethyl-L-asparagine |
| Formula: | C8 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 188.224 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,N-diethyl-L-asparagine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-4-(diethylamino)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CC(N(CC)CC)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O3/c1-3-10(4-2)7(11)5-6(9)8(12)13/h6H,3-5,9H2,1-2H3,(H,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | OJVQWQDVWYYNQG-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(=O)C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCN(CC)C(=O)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(CC)C(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN(CC)C(=O)CC(C(=O)O)N |
