Specification: |
The 4-Amino-L-phenyl-N-phthalylalanine ethyl ester with the cas number 74743-23-0, is also called ethyl (2S)-3-(4-aminophenyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate .The properties of the chemical are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 66.92 Å2; (5)Index of Refraction: 1.637; (6)Molar Refractivity: 91.27 cm3; (7)Molar Volume: 254.1 cm3; (8)Polarizability: 36.18×10-24cm3; (9)Surface Tension: 62.5 dyne/cm; (10)Enthalpy of Vaporization: 81.11 kJ/mol; (11)Vapour Pressure:1.64×10-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H](N2C(=O)c1ccccc1C2=O)Cc3ccc(N)cc3
(2)InChI: InChI=1/C19H18N2O4/c1-2-25-19(24)16(11-12-7-9-13(20)10-8-12)21-17(22)14-5-3-4-6-15(14)18(21)23/h3-10,16H,2,11,20H2,1H3/t16-/m0/s1
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