L-4-BENZOYLPHENYLALANINE

The L-Phenylalanine,4-benzoyl- is an organic compound with the formula C₁₆H₁₅NO₃. The IUPAC name of this chemical is (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid. With the CAS registry number 104504-45-2, it is also named as 4-(Phenylcarbonyl)-L-phenylalanin. The product's categories are Amino Acids; Phenylalanine Analogs and Other Aromatic alpha Amino Acids; Amino Acid Derivatives; Chiral Compound; α-Amino. In addition, this chemical should be stored at the temperature of -15°C.

The other characteristics of L-Phenylalanine,4-benzoyl- can be summarized as: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 80.39 Å²; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 75.286 cm³; (13)Molar Volume: 215.552 cm³; (14)Surface Tension: 56.705 dyne/cm; (15)Enthalpy of Vaporization: 76.87 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Rotatable Bond Count: 5; (18)Tautomer Count: 4; (19)Exact Mass: 269.105193; (20)MonoIsotopic Mass: 269.105193; (21)Topological Polar Surface Area: 80.4; (22)Heavy Atom Count: 20; (23)Complexity: 342.

People can use the following data to convert to the molecule structure. 
1. SMILES:c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N
2. InChI:InChI=1/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
3. InChIKey:TVIDEEHSOPHZBR-AWEZNQCLBO
4. Std. InChI:InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
5. Std. InChIKey:TVIDEEHSOPHZBR-AWEZNQCLSA-N