The L-Alanine,glycylglycylglycylglycyl-, with the CAS registry number 20347-80-2, is also known as Glycylglycylglycylglycylalanine. This chemical's molecular formula is C11H19N5O6 and molecular weight is 317.3. What's more, its IUPAC name is called 2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid.
Physical properties about L-Alanine,glycylglycylglycylglycyl- are: (1) ACD/LogP: -2.93; (2) # of Rule of 5 Violations: 2; (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: 11; (8) #H bond donors: 7; (9) #Freely Rotating Bonds: 10; (10) Polar Surface Area: 110.78 Å2; (11) Index of Refraction: 1.536; (12) Molar Refractivity: 72.56 cm3; (13) Molar Volume: 232.5 cm3; (14)Surface Tension: 61 dyne/cm; (15) Density: 1.364 g/cm3; (16) Flash Point: 501.5 °C; (17) Enthalpy of Vaporization: 142.81 kJ/mol; (18) Boiling Point: 905.6 °C at 760 mmHg; (19) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC(C(=O)O)C)CNC(=O)CNC(=O)CNC(=O)CN
(2) InChI: InChI=1/C11H19N5O6/c1-6(11(21)22)16-10(20)5-15-9(19)4-14-8(18)3-13-7(17)2-12/h6H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20)(H,21,22)
(3) InChIKey: NXVQLROTKQDHIA-UHFFFAOYAN
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