MAA
N-methyl-L-alanine
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 16 |
Chiral Atom Count | 1 |
Bond Count | 15 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-methyl-L-alanine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-(methylamino)propanoic acid |
Formula | C4 H9 N O2 |
Molecular Weight | 103.12 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC)C |
SMILES | CACTVS | 3.370 | CN[CH](C)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)O)NC |
Canonical SMILES | CACTVS | 3.370 | CN[C@@H](C)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C[C@@H](C(=O)O)NC |
InChI | InChI | 1.03 | InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | GDFAOVXKHJXLEI-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5288725, 6971259 |
ChEMBL | CHEMBL1234201 |
ChEBI | CHEBI:58175, CHEBI:17519 |