2YG
N~6~-L-lysyl-L-lysine
Created: | 2014-04-14 |
Last modified: | 2014-04-23 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 45 |
Chiral Atom Count | 2 |
Bond Count | 44 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N~6~-L-lysyl-L-lysine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-6-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoic acid |
Formula | C12 H26 N4 O3 |
Molecular Weight | 274.36 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCNC(=O)C(N)CCCCN |
SMILES | CACTVS | 3.385 | NCCCC[CH](N)C(=O)NCCCC[CH](N)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CCN)CC(C(=O)NCCCCC(C(=O)O)N)N |
Canonical SMILES | CACTVS | 3.385 | NCCCC[C@H](N)C(=O)NCCCC[C@H](N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N |
InChI | InChI | 1.03 | InChI=1S/C12H26N4O3/c13-7-3-1-5-9(14)11(17)16-8-4-2-6-10(15)12(18)19/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | ISWYJQKGNGBKJG-UWVGGRQHSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 16047671 |