LGY
(E)-N~6~-(4-oxobutylidene)-L-lysine
Created: | 2010-07-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 1 |
Bond Count | 32 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (E)-N~6~-(4-oxobutylidene)-L-lysine |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-6-[(E)-4-oxobutylideneamino]hexanoic acid |
Formula | C10 H18 N2 O3 |
Molecular Weight | 214.262 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCC/N=C/CCC=O |
SMILES | CACTVS | 3.370 | N[CH](CCCCN=CCCC=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | C(CCN=CCCC=O)CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.370 | N[C@@H](CCCCN=CCCC=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1 |
InChIKey | InChI | 1.03 | QHNKFGZIDRMVOP-SZUMLMDFSA-N |