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N-METHYL ASPARAGINE
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 1 |
Bond Count | 19 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-METHYL ASPARAGINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-4-methylamino-4-oxo-butanoic acid |
Formula | C5 H10 N2 O3 |
Molecular Weight | 146.144 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC)CC(N)C(=O)O |
SMILES | CACTVS | 3.341 | CNC(=O)C[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | CNC(=O)C[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CNC(=O)C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | CFRMVEKWKKDNAH-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 86308196, 100393 |
ChEBI | CHEBI:44079 |