DMK
3,3-DIMETHYL ASPARTIC ACID
| Created: | 2003-01-30 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 22 |
| Chiral Atom Count | 1 |
| Bond Count | 21 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 3,3-DIMETHYL ASPARTIC ACID |
| Systematic Name (OpenEye OEToolkits) | (3S)-3-azanyl-2,2-dimethyl-butanedioic acid |
| Formula | C6 H11 N O4 |
| Molecular Weight | 161.156 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(C(O)=O)(C)C)C(=O)O |
| SMILES | CACTVS | 3.385 | CC(C)([CH](N)C(O)=O)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C(C(=O)O)N)C(=O)O |
| Canonical SMILES | CACTVS | 3.385 | CC(C)([C@H](N)C(O)=O)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)([C@@H](C(=O)O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-6(2,5(10)11)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | NWZACHOBRMGGPL-GSVOUGTGSA-N |
Related Resource References
| Resource Name | Reference |
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| PubChem | 5288088 |














