CAS No.: 1946-82-3 — N-alpha-Acetyl-L-lysine (N-乙酰-L-赖氨酸)

1. Primary Information

English name:	N-alpha-Acetyl-L-lysine
CAS No.:	1946-82-3
Molecular formula:	C₈H₁₆N₂O₃
Molecular weight:	188.22 g/mol
SMILES:	CC(=O)NC(CCCCN)C(=O)O
Structural class:
Other identifiers:	N(2)-acetyllysine N(alpha)-acetyllysine N(alpha)-acetyllysine, (DL)-isomer N-alpha-acetyl-L-lysine N-alpha-acetyllysine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	BR，97%	115	RT	in stock	-
Kehua Intelligence	1g	BR，97%	288	RT	in stock	-
Kehua Intelligence	5g	BR，97%	832	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 28 0 1 0 0 0 0 0999 V2000 2.1586 -2.3329 1.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -1.5329 -1.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 1.7279 1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 0.7008 -0.4439 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5677 0.6397 0.9278 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -1.1326 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 -0.1846 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 -0.5546 0.2594 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1041 -0.7092 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2662 0.2738 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -1.4963 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 1.7201 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 2.8807 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 -2.0868 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -1.3612 -1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 0.0106 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 0.7803 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.3463 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 -1.6380 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9845 -0.9785 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1561 -0.1775 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 1.1763 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 0.7767 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 1.1365 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7082 -0.1951 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 3.7415 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 2.6057 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 3.1597 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -2.9459 0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 29 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-acetamido-6-aminohexanoic acid

4.2 InChI

InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

4.3 InChIKey

VEYYWZRYIYDQJM-ZETCQYMHSA-N

4.4 Canonical SMILES

CC(=O)NC(CCCCN)C(=O)O

4.5 Isomeric SMILES

CC(=O)N[C@@H](CCCCN)C(=O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)