BIO 1211

The N-[(4-{[(2-Methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-leucyl-L-α-aspartyl-L-valyl-L-proline is an organic compound with the formula C₃₆H₄₈N₆O₉. The systematic name of this chemical is N-[(4-{[(2-Methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-leucyl-L-α-aspartyl-L-valyl-L-proline. With the CAS registry number 187735-94-0, it is also named as L-Proline, N-[2-[4-[[[(2-methylphenyl)amino]carbonyl]amino]phenyl]acetyl]-L-leucyl-L-α-aspartyl-L-valyl-. Besides, its molecular weight is 708.8011.

Physical properties about N-[(4-{[(2-Methylphenyl)carbamoyl]amino}phenyl)acetyl]-L-leucyl-L-α-aspartyl-L-valyl-L-proline are: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 15; (4)#H bond donors: 7; (5)#Freely Rotating Bonds: 16; (6)Polar Surface Area: 223.34 Å²; (7)Index of Refraction: 1.606; (8)Molar Refractivity: 187.182 cm³; (9)Molar Volume: 542.595 cm³; (10)Polarizability: 74.205×10^-24 cm³; (11)Surface Tension: 63.502 dyne/cm; (12)Density: 1.306 g/cm³; (13)Flash Point: 535.728 °C; (14)Enthalpy of Vaporization: 146.791 kJ/mol; (15)Boiling Point: 962.214 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
(2)InChIKey: NVVGCQABIHSJSQ-KFZSMJGVBK
(3)Std. InChI: InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
(4)Std. InChIKey: NVVGCQABIHSJSQ-KFZSMJGVSA-N