Benzoic acid,4-[2-[[1-[2-[(4-carboxybutyl)amino]phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxy- (874908-12-0)

The 2-Despiperidyl-2-(5-carboxypentylamine) Repaglinide with cas registry number of 874908-12-0, belongs to the following product categories: (1)Various Metabolites and Impurities; (2)Intermediates & Fine Chemicals; (3)Metabolites & Impurities; (4)Pharmaceuticals. And it has the systematic name of 2-ethoxy-4-[2-[[1-[2-[(5-hydroxy-5-oxo-pentyl)amino]phenyl]-3-methyl-butyl]amino]-2-oxo-ethyl]benzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 124.96 Å²; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 134.98 cm³; (9)Molar Volume: 405.6 cm³; (10)Polarizability: 53.51×10^-24cm³; (11)Surface Tension: 50.6 dyne/cm; (12)Enthalpy of Vaporization: 115.76 kJ/mol; (13)Vapour Pressure: 4.23E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2NCCCCC(=O)O;
(2)InChI: InChI=1/C27H36N2O6/c1-4-35-24-16-19(12-13-21(24)27(33)34)17-25(30)29-23(15-18(2)3)20-9-5-6-10-22(20)28-14-8-7-11-26(31)32/h5-6,9-10,12-13,16,18,23,28H,4,7-8,11,14-15,17H2,1-3H3,(H,29,30)(H,31,32)(H,33,34);
(3)InChIKey: ZOMBGPVQRXZSGW-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C27H36N2O6/c1-4-35-24-16-19(12-13-21(24)27(33)34)17-25(30)29-23(15-18(2)3)20-9-5-6-10-22(20)28-14-8-7-11-26(31)32/h5-6,9-10,12-13,16,18,23,28H,4,7-8,11,14-15,17H2,1-3H3,(H,29,30)(H,31,32)(H,33,34);
(5)Std. InChIKey: ZOMBGPVQRXZSGW-UHFFFAOYSA-N