L-Glutamic acid,N-acetyl-L-a-aspartyl- (3106-85-2)

The N-Acetyl-L-aspartyl-L-glutamic acid with the cas number 3106-85-2 is also called L-Glutamic acid,N-acetyl-L-a-aspartyl-. The systematic name is N-(N-Acetyl-L-alpha-aspartyl)-L-glutamic acid. Its molecular formula is C₁₁H₁₆N₂O₈. This chemical is mediator in the sensitivity of animals to hyperbaric oxygenation and apparently can have both a neuroprotective and a neurotoxic effect. It is white powder. It should be stored at −20°C.

The properties of the chemical are: (1)ACD/LogP: -1.96; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.67; (4)ACD/LogD (pH 7.4): -7.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 119.52 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 64.87 cm³; (15)Molar Volume: 206.6 cm³; (16)Polarizability: 25.71×10^-24cm³; (17)Surface Tension: 69.2 dyne/cm; (18)Enthalpy of Vaporization: 121.84 kJ/mol; (19)Vapour Pressure: 6.21×10^-26 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)CCC(=O)O)[C@@H](NC(=O)C)CC(=O)O
(2)InChI: InChI=1/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
(3)InChIKey: OPVPGKGADVGKTG-BQBZGAKWBZ