Gly-Pro P-Nitroanilide P-Toluenesulfonate Salt

The CAS register number of Gly-Pro P-Nitroanilide P-Toluenesulfonate Salt is 65096-46-0. It also can be called as Gly-L-Pro-P-Nitroanilide-P-Tosylate and the systematic name about this chemical is glycyl-N-(4-nitrophenyl)-L-prolinamide 4-methylbenzenesulfonate. The molecular formula about this chemical is C₂₀H₂₄N₄O₇S and the molecular weight is 464.49. It belongs to the following product categories which include Dipeptidyl peptidase IV;Dipeptidyl peptidase IVEnzyme Substrates; Enzyme Substrates; Protease Substrates; Substrates by Enzyme and so on.

Physical properties about Gly-Pro P-Nitroanilide P-Toluenesulfonate Salt are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 11; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 184 Å²; (7)Flash Point: 432.1 °C; (8)Enthalpy of Vaporization: 120.64 kJ/mol; (9)Boiling Point: 790.8 °C at 760 mmHg; (10)Vapour Pressure: 2.33E-26 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H]2CCCN2C(=O)CN.OS(=O)(=O)c1ccc(C)cc1
(2)InChI: InChI=1/C13H16N4O4.C7H8O3S/c14-8-12(18)16-7-1-2-11(16)13(19)15-9-3-5-10(6-4-9)17(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11H,1-2,7-8,14H2,(H,15,19);2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
(3)InChIKey: XHLUWCXVWCBOPP-MERQFXBCBS
(4)Std. InChI: InChI=1S/C13H16N4O4.C7H8O3S/c14-8-12(18)16-7-1-2-11(16)13(19)15-9-3-5-10(6-4-9)17(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,11H,1-2,7-8,14H2,(H,15,19);2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
(5)Std. InChIKey: XHLUWCXVWCBOPP-MERQFXBCSA-N