ALY

N(6)-ACETYLLYSINE

Created:	2000-08-18
Last modified:	2024-09-27

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7 entries where ALY is found as a standalone ligand385 entries where ALY is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	0

2D diagram of ALY

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Chemical Component Summary
Name	N(6)-ACETYLLYSINE
Systematic Name (OpenEye OEToolkits)	(2S)-6-acetamido-2-amino-hexanoic acid
Formula	C₈ H₁₆ N₂ O₃
Molecular Weight	188.224
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCCCCC(N)C(=O)O)C
SMILES	CACTVS	3.341	CC(=O)NCCCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CC(=O)NCCCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKey	InChI	1.03	DTERQYGMUDWYAZ-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	92832, 6991978
ChEMBL	CHEMBL1230958
ChEBI	CHEBI:58260, CHEBI:17752

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