CAS No.: 15985-39-4 — L-Methionine sulfoximine (L-蛋氨酸磺酸盐)

1. Primary Information

English name:	L-Methionine sulfoximine
CAS No.:	15985-39-4
Molecular formula:	C₅H₁₂N₂O₃S
Molecular weight:	180.23 g/mol
SMILES:	CS(=N)(=O)CCC(C(=O)O)N
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	50mg	98%	224	2-8℃	in stock	-
Kehua Intelligence	250mg	98%	624	2-8℃	in stock	-
Kehua Intelligence	1g	98%	1600	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 22 0 1 0 0 0 0 0999 V2000 -2.5071 -0.1695 -0.1858 S 0 0 1 0 0 0 0 0 0 0 0 0 -2.5463 0.3151 -1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7816 -1.6239 0.2254 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 0.2909 -0.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 1.7920 0.2426 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6118 -1.6573 0.2299 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 0.4661 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.1879 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 0.3689 0.5485 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7884 0.6964 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7408 -0.2908 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 1.5472 0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 0.2834 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.0610 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 -1.2707 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 0.2346 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 1.7694 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7543 0.3886 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7254 0.4486 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6472 1.9367 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 2.1580 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 -2.2390 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -2.0443 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 3 11 1 0 0 0 0 3 23 1 0 0 0 0 4 11 2 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid

4.2 InChI

InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11?/m0/s1

4.3 InChIKey

SXTAYKAGBXMACB-DPVSGNNYSA-N

4.4 Canonical SMILES

CS(=N)(=O)CCC(C(=O)O)N

4.5 Isomeric SMILES

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

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)