CAS No.: 2490-97-3 — Aceglutamide (N-乙酰-L-谷氨酰胺)

1. Primary Information

English name:	Aceglutamide
CAS No.:	2490-97-3
Molecular formula:	C₇H₁₂N₂O₄
Molecular weight:	188.18 g/mol
SMILES:	CC(=O)NC(CCC(=O)N)C(=O)O
Structural class:
Other identifiers:	aceglutamide aceglutamide, aluminum (3:1) salt N-acetyl-L-glutamine N-acetylglutamine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	98%	528	RT	in stock	-
Kehua Intelligence	5g	BR，98%	22	RT	in stock	-
Kehua Intelligence	25g	BR，98%	46	RT	in stock	-
Kehua Intelligence	100g	BR，98%	168	RT	in stock	-
Kehua Intelligence	500g	BR，98%	800	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 24 0 1 0 0 0 0 0999 V2000 -1.1097 2.3097 -1.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0613 2.8417 0.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1351 -1.2013 0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -1.5634 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5391 -0.1958 -0.3816 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 -0.7739 -1.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 0.5662 0.5276 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6314 -0.1157 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 -0.1114 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 2.0061 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 -0.7463 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -1.1999 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 -1.8159 -1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 0.6158 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 -1.1492 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 0.3978 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 -0.6719 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 0.9103 -0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 0.0139 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 -2.7193 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -1.1019 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 -2.0868 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6908 -1.1789 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5289 -0.3935 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 3.2517 -1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 25 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 12 13 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2S)-2-acetamido-5-amino-5-oxopentanoic acid

4.2 InChI

InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1

4.3 InChIKey

KSMRODHGGIIXDV-YFKPBYRVSA-N

4.4 Canonical SMILES

CC(=O)NC(CCC(=O)N)C(=O)O

4.5 Isomeric SMILES

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