L-Glutamine,N-acetyl-L-alanyl- (9CI) (121574-43-4)

The N-Acetyl-L-alanyl-L-glutamine, with CAS registry number 121574-43-4, belongs to the following product category: Amino Acid Derivatives. It has the systematic name of N-acetylalanylglutamine. Besides this, it is also called glutamine, N-acetylalanyl-. And the chemical formula of this chemical is C₁₀H₁₇N₃O₅.

Physical properties of N-Acetyl-L-alanyl-L-glutamine: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 8; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 7; (9)Polar Surface Area: 138.59 Å²; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 60.67 cm³; (12)Molar Volume: 201.6 cm³; (13)Polarizability: 24.05×10^-24cm³; (14)Surface Tension: 54 dyne/cm; (15)Enthalpy of Vaporization: 117.1 kJ/mol; (16)Vapour Pressure: 8.59E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(CCC(N)=O)C(O)=O)C(C)NC(C)=O
(2)InChI: InChI=1/C10H17N3O5/c1-5(12-6(2)14)9(16)13-7(10(17)18)3-4-8(11)15/h5,7H,3-4H2,1-2H3,(H2,11,15)(H,12,14)(H,13,16)(H,17,18)
(3)InChIKey: BALLJDWBMKIZEF-UHFFFAOYAD