L-Phenylalanine,N-(1-oxotetradecyl)- (68792-49-4)

The cas register number of N-Myristol-L-phenylalanine is 68792-49-4. It also can be called as (2S)-3-Phenyl-2-(tetradecanoylamino)propanoic acid and the IUPAC Name about this chemical is (2S)-3-phenyl-2-(tetradecanoylamino)propanoic acid.

Physical properties about N-Myristol-L-phenylalanine are: (1) ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 971.92; (6)ACD/BCF (pH 7.4): 40.61; (7)ACD/KOC (pH 5.5): 1120.13; (8)ACD/KOC (pH 7.4): 46.8; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 46.61Ų; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 110.44 cm³; (15)Molar Volume: 370.7 cm³; (16)Polarizability: 43.78x10^-24cm³; (17)Surface Tension: 40 dyne/cm; (18)Enthalpy of Vaporization: 88.63 kJ/mol; (19)Vapour Pressure: 2.25E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)CCCCCCCCCCCCC)Cc1ccccc1
(2)InChI: InChI=1/C23H37NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(25)24-21(23(26)27)19-20-16-13-12-14-17-20/h12-14,16-17,21H,2-11,15,18-19H2,1H3,(H,24,25)(H,26,27)/t21-/m0/s1
(3)InChIKey: GFNNQTYRJPFJGX-NRFANRHFBZ
(4)Std. InChI: InChI=1S/C23H37NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(25)24-21(23(26)27)19-20-16-13-12-14-17-20/h12-14,16-17,21H,2-11,15,18-19H2,1H3,(H,24,25)(H,26,27)/t21-/m0/s1
(5)Std. InChIKey: GFNNQTYRJPFJGX-NRFANRHFSA-N