DMH
N4,N4-DIMETHYL-ASPARAGINE
| Created: | 2001-08-24 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 23 |
| Chiral Atom Count | 1 |
| Bond Count | 22 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | N4,N4-DIMETHYL-ASPARAGINE |
| Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-4-dimethylamino-4-oxo-butanoic acid |
| Formula | C6 H12 N2 O3 |
| Molecular Weight | 160.171 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(C)C)CC(N)C(=O)O |
| SMILES | CACTVS | 3.341 | CN(C)C(=O)C[CH](N)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)CC(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.341 | CN(C)C(=O)C[C@H](N)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)C[C@@H](C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c1-8(2)5(9)3-4(7)6(10)11/h4H,3,7H2,1-2H3,(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | AHEBZPSPUGRPFZ-BYPYZUCNSA-N |
Related Resource References
| Resource Name | Reference |
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| PubChem | 5288085 |














