BOC-GLU(OTBU)-ONP

The CAS register number of(S)-5-tert-butyl 1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)pentanedioate is 69876-58-0. It also can be called as L-Glutamic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 5-(1,1-dimethylethyl) 1-(4-nitrophenyl)ester and the systematic name about this chemical is 5-tert-butyl 1-(4-nitrophenyl) N-(tert-butoxycarbonyl)-D-glutamate. The molecular formula about this chemical is C₂₀H₂₈N₂O₈ and the molecular weight is 424.44. It belongs to the following product categories which include Amino Acids; Glutamic acid [Glu, E]; Boc-Amino Acids and Derivative and so on.

Physical properties about (S)-5-tert-butyl 1-(4-nitrophenyl) 2-(tert-butoxycarbonylamino)pentanedioate are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 127.96Ų; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 106.76 cm³; (9)Molar Volume: 353.2 cm³; (10)Polarizability: 42.32x10^-24cm³; (11)Surface Tension: 43.4 dyne/cm; (12)Flash Point: 289.4 °C; (13)Enthalpy of Vaporization: 83.62 kJ/mol; (14)Boiling Point: 555 °C at 760 mmHg; (15)Vapour Pressure: 2.34E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)[C@H](NC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
(2)InChI: InChI=1/C20H28N2O8/c1-19(2,3)29-16(23)12-11-15(21-18(25)30-20(4,5)6)17(24)28-14-9-7-13(8-10-14)22(26)27/h7-10,15H,11-12H2,1-6H3,(H,21,25)/t15-/m1/s1
(3)InChIKey: XGSZKZYRDFXIHX-OAHLLOKOBG
(4)Std. InChI: InChI=1S/C20H28N2O8/c1-19(2,3)29-16(23)12-11-15(21-18(25)30-20(4,5)6)17(24)28-14-9-7-13(8-10-14)22(26)27/h7-10,15H,11-12H2,1-6H3,(H,21,25)/t15-/m1/s1
(5)Std. InChIKey: XGSZKZYRDFXIHX-OAHLLOKOSA-N