MGN
2-METHYL-GLUTAMINE
Created: | 1999-07-08 |
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 | 2-METHYL-GLUTAMINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2,5-diamino-2-methyl-5-oxo-pentanoic acid |
Formula | C6 H12 N2 O3 |
Molecular Weight | 160.171 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)CCC(N)(C(=O)O)C |
SMILES | CACTVS | 3.341 | C[C](N)(CCC(N)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCC(=O)N)(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | C[C@](N)(CCC(N)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C[C@](CCC(=O)N)(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c1-6(8,5(10)11)3-2-4(7)9/h2-3,8H2,1H3,(H2,7,9)(H,10,11)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | YLTNWAQTQJRBKR-LURJTMIESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 20640234 |
ChEBI | CHEBI:43949 |