7QK
N~6~-acetyl-N~6~-methyl-L-lysine
| Created: | 2021-08-17 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 32 |
| Chiral Atom Count | 1 |
| Bond Count | 31 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | N~6~-acetyl-N~6~-methyl-L-lysine |
| Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-6-[ethanoyl(methyl)amino]hexanoic acid |
| Formula | C9 H18 N2 O3 |
| Molecular Weight | 202.251 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCCCN(C)C(C)=O)C(=O)O |
| SMILES | CACTVS | 3.385 | CN(CCCC[CH](N)C(O)=O)C(C)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N(C)CCCCC(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.385 | CN(CCCC[C@H](N)C(O)=O)C(C)=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N(C)CCCC[C@@H](C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O3/c1-7(12)11(2)6-4-3-5-8(10)9(13)14/h8H,3-6,10H2,1-2H3,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | JDOAXXVMDRGGTF-QMMMGPOBSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 168451628 |














