Z-GLY-PRO-PNA

The Z-Gly-Pro-pNa, with the CAS registry number 65022-15-3, is also known as Z-Gly-Pro-4-nitroanilide. This chemical's molecular formula is C₂₁H₂₂N₄O₆ and molecular weight is 426.42. What's more, its systematic name is N-[(Benzyloxy)carbonyl]glycyl-N-(4-nitrophenyl)-L-prolinamide. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. Its storage temperature is -20°C. You should not breathe dust. When using it, you must avoid contact with skin and eyes.

Physical properties of Z-Gly-Pro-pNa are: (1)ACD/LogP: 2.999; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.00; (4)ACD/LogD (pH 7.4): 3.00; (5)ACD/BCF (pH 5.5): 112.03; (6)ACD/BCF (pH 7.4): 112.02; (7)ACD/KOC (pH 5.5): 1019.82; (8)ACD/KOC (pH 7.4): 1019.68; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 133.56 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 110.64 cm³; (15)Molar Volume: 307.474 cm³; (16)Polarizability: 43.861×10^-24cm³; (17)Surface Tension: 67.81 dyne/cm; (18)Density: 1.387 g/cm³; (19)Flash Point: 400.534 °C; (20)Enthalpy of Vaporization: 107.749 kJ/mol; (21)Boiling Point: 738.672 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc([N+]([O-])=O)cc1)[C@H]3N(C(=O)CNC(=O)OCc2ccccc2)CCC3
(2)Std. InChI: InChI=1S/C21H22N4O6/c26-19(13-22-21(28)31-14-15-5-2-1-3-6-15)24-12-4-7-18(24)20(27)23-16-8-10-17(11-9-16)25(29)30/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,28)(H,23,27)/t18-/m0/s1
(3)Std. InChIKey: UTXSFKPOIVELPQ-SFHVURJKSA-N